Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6176873

CNc1cc(OC)ccc1N.Cl.Cl

nearest known ligand 0.57

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 3/20 0.50
HDAC2 known ✓ Q92769 3/20 0.40
HDAC3 known ✓ O15379 1/20 0.39
HDAC4 known ✓ P56524 1/20 0.39
HDAC1 known ✓ Q13547 1/20 0.39
HDAC7 known ✓ Q8WUI4 1/20 0.39
HDAC10 known ✓ Q969S8 1/20 0.39
HDAC11 known ✓ Q96DB2 1/20 0.39
HDAC8 known ✓ Q9BY41 1/20 0.39
HDAC6 known ✓ Q9UBN7 1/20 0.39
HDAC9 known ✓ Q9UKV0 1/20 0.39
HDAC5 known ✓ Q9UQL6 1/20 0.39
CA2 known ✓ P00918 2/20 0.39
ALDH1A1 P00352 7/20 0.57
CYP3A4 P08684 3/20 0.57
MEN1 O00255 5/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 5/20 0.52
THRB P10828 3/20 0.52
TDP1 Q9NUW8 4/20 0.50

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
SCHEMBL1131363 0.98 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL11039565 0.84 ALDH1A1 (0.57) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL13211386 0.83 NR4A1 (0.54) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL431525 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL29703916 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL29703915 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL18469408 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL12831543 0.79 F10 (0.47) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL4924540 0.77 MAPT (0.67) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL29624960 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4MEN1MAPTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1607385-A1 Intermediates for the synthesis of benzimidazole compounds and process for the preparation thereof Sankyo Company Limited (JP) 2005-12-21 EP disclosed
US-6753347-B2 CONDENSATION OF AMINE DERIVATIVE WITH CARBOXYLIC ACID DERIVATIVES TO AFFORD INTERMEDIATE COMPOUND, FOLLOWED BY CYCLIZATION OF INTERMEDIATE COMPOUND IN PRESENCE OF ACID; HYOPOGLYCEMIC ACTION SANKYO COMPANY, LIMITED (JP) 2004-06-22 US disclosed
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-10-23 US disclosed
US-6525220-B2 Having hypoglycemic action SANKYO COMPANY, LIMITED (JP) 2003-02-25 US disclosed
US-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-01-09 US disclosed
EP-1191019-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZIMIDAZOLE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Sankyo Company, Limited (JP) 2002-03-27 EP 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 (2 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-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK GAA 1028/4885HDAC2 317/4885HDAC3 86/4885
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK GAA 1028/4885HDAC2 317/4885HDAC3 86/4885

“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.