Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1927596

CNCc1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1.Cl

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 4/20 0.42
BCHE known ✓ P06276 2/20 0.40
ACHE known ✓ P22303 2/20 0.40
MAOA known ✓ P21397 1/20 0.39
PTGS1 known ✓ P23219 1/20 0.39
SLC6A2 known ✓ P23975 1/20 0.39
HTR2C known ✓ P28335 1/20 0.39
PTGS2 known ✓ P35354 1/20 0.39
SLC6A3 known ✓ Q01959 1/20 0.39
HTR3A known ✓ P46098 1/20 0.37
NOX1 Q9Y5S8 9/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRMT6 Q96LA8 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALOX15 P16050 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2340074 0.99 NOX1 (0.43) NOX1MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL1927617 0.89 NOX1 (0.40) NOX1MAPTGAANPC1RAB9A
SCHEMBL1930213 0.88 NOX1 (0.41) NOX1MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL1929443 0.87 SLC2A1 (0.41) NOX1MAPTGAANPC1RAB9A
SCHEMBL1929343 0.86 SLC2A1 (0.42) NOX1MAPTGAANPC1RAB9A
SCHEMBL1928640 0.85 NOX1 (0.39) NOX1MAPTGAANPC1RAB9A
SCHEMBL1927266 0.85 NOX1 (0.46) NOX1MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL1926356 0.85 TAAR1 (0.46) NOX1MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL1927470 0.84 SLC2A1 (0.40) NOX1MAPTGAANPC1RAB9A
SCHEMBL1928745 0.84 SLC2A1 (0.41) NOX1MAPTGAANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288560-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US disclosed
CN-1533276-B Use of thiazole derivatives for the preparation of a medicament for the protection of mitochondria CONSEILS DE RECH S ET D AMPPLICATIONS SCIENT SOC D 2010-06-30 CN disclosed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US disclosed
US-20080108683-A1 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2008-05-08 US disclosed
US-7345066-B2 Use of thiazole derivatives for preparing a medicine for protecting mitochondria SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-03-18 US disclosed
US-20080039451-A1 Use of thiazole derivatives for preparing a medicament intended to protect the mitochondria AUGUET MICHEL 2008-02-14 US disclosed
US-7291641-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-11-06 US disclosed
US-20070185174-A1 Use of thiazole derivatives for preparing a medicament intended to protect the mitochondria SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2007-08-09 US disclosed
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 US disclosed
US-20070054900-A1 4-Phenlthiazole and 4-phenylimidizole derivatives and their use as medicaments for the treatment of neurodegenerative diseases, pain and epilepsy SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2007-03-08 US disclosed
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 US disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US disclosed
US-20040248885-A1 Use of thiazole derivatives for preparing a medicine for protecting mitochondria IPSEN PHARMA S.A.S. (FR) 2004-12-09 US disclosed
CN-1533276-A Use of thiazole derivatives for the preparation of a medicament for the protection of mitochondria ��ѧ�о���Ӧ����ѯ��˾ 2004-09-29 CN disclosed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT GAA 431/4885BCHE 228/4885ACHE 12/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA GAA 328/4885BCHE 204/4885ACHE 7/4885
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 GAA 4465/4885BCHE 1682/4885ACHE 658/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 GAA 3696/4885BCHE 1589/4885ACHE 475/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 GAA 4369/4885BCHE 1292/4885ACHE 401/4885
US-20080108683-A1 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY TPMT, MAPT, TRPV4 GAA 1619/4885BCHE 109/4885ACHE 25/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 GAA 4117/4885BCHE 1161/4885ACHE 300/4885
US-20070185174-A1 Use of thiazole derivatives for preparing a medicament intended to protect the mitochondria TFAM, TXNRD2, TXN2 GAA 946/4885BCHE 3376/4885ACHE 3593/4885
US-20070054900-A1 4-Phenlthiazole and 4-phenylimidizole derivatives and their use as medicaments for the treatment of neurodegenerative diseases, pain and epilepsy TPMT, P2RX4, CACNA1I GAA 2423/4885BCHE 175/4885ACHE 40/4885
US-20080039451-A1 Use of thiazole derivatives for preparing a medicament intended to protect the mitochondria GOT2, OAT, TFAM GAA 2640/4885BCHE 2951/4885ACHE 3045/4885
US-20040248885-A1 Use of thiazole derivatives for preparing a medicine for protecting mitochondria TFAM, TXN2, ACAD9 GAA 2908/4885BCHE 3930/4885ACHE 4814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.