Hydrochloric Acid

Hydrochloric Acid

SCHEMBL259354

CNCC(=O)c1ccccc1.Cl

nearest known ligand 0.60

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
AGTR1 known ✓ P30556 3/20 0.50
GAA known ✓ P10253 2/20 0.48
KMT2A Q03164 5/20 0.60
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.60
CYP3A4 P08684 3/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPK1 P28482 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALOX15 P16050 1/20 0.60
CES1 P23141 1/20 0.60
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
PTPN1 P18031 2/20 0.52
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
ALDH1A1 P00352 7/20 0.50
GSK3B P49841 2/20 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
SCHEMBL260807 0.98 KMT2A (0.62) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL9432569 0.82 HPGD (0.65) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL6462499 0.81 HSD17B3 (0.53) HPGDCYP3A4MAPTKDM4ETDP1
SCHEMBL13290372 0.80 KMT2A (0.52) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL3953007 0.80 MEN1 (0.62) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
SCHEMBL5932634 0.79 HPGD (0.68) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL11607572 0.79 KMT2A (0.56) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL10472529 0.79 NPC1 (0.53) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL6709007 0.79 MAPT (0.56) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL3856160 0.79 NPC1 (0.53) KMT2AHPGDSMN1; SMN2MEN1CYP3A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106324794-B A kind of the chip automatic focusing device and its focus adjustment method of gene profile sequencing equipment 徐州工程学院 2018-10-23 CN claimed
CN-117800852-A Synthetic method of natural product salt spike grass alkali 江西师范大学 2024-04-02 CN disclosed
US-11028052-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-06-08 US disclosed
EP-3461816-B1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-03-24 EP disclosed
US-10421727-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2019-09-24 US disclosed
CN-106831453-B The synthetic method of N- methyl phenolethanolamine and its hydrochloride 苏州永健生物医药有限公司 2019-08-23 CN disclosed
EP-3461816-A1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2019-04-03 EP disclosed
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-12-28 US disclosed
US-9840471-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-12-12 US disclosed
US-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US disclosed
US-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed
EP-2318394-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2011-05-11 EP disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 US disclosed
WO-2009152825-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2009-12-23 WO disclosed
US-7541360-B2 4-amino-7,8-dihydropteridines, pharmaceutical compositions containing them and their use for the treatment of diseases which are caused by an increased nitric oxide level VASOPHARM GMBH (DE) 2009-06-02 US disclosed
US-20080027062-A1 4-Amino-7,8-Dihydropteridines, Pharmaceutical Compositions Containing Them and Their Use For The Treatment Of Diseases Which Are Caused By An Increased Nitric Oxide Level VASOPHARM GMBH (DE) 2008-01-31 US disclosed
EP-1699793-A1 4-AMINO-7,8-DIHYDROPTERIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE TREATMENT OF DISEASES WHICH ARE CAUSED BY AN INCREASED NITRIC OXIDE LEVEL Vasopharm Biotech GmbH (DE) 2006-09-13 EP disclosed
WO-2005063752-A1 4-AMINO-7,8-DIHYDROPTERIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE TREATMENT OF DISEASES WHICH ARE CAUSED BY AN INCREASED NITRIC OXIDE LEVEL VASOPHARM BIOTECH GMBH (DE) 2005-07-14 WO 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 (6 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-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B AGTR1 1679/4885GAA 32/4885KMT2A 1113/4885
US-10421727-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 AGTR1 1340/4885GAA 3493/4885KMT2A 2891/4885
US-20080027062-A1 4-Amino-7,8-Dihydropteridines, Pharmaceutical Compositions Containing Them and Their Use For The Treatment Of Diseases Which Are Caused By An Increased Nitric Oxide Level QDPR, PTGIS, NOS2 AGTR1 284/4885GAA 347/4885KMT2A 3308/4885
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPA1 AGTR1 1340/4885GAA 3493/4885KMT2A 2891/4885
US-11028052-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 AGTR1 1340/4885GAA 3493/4885KMT2A 2891/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B AGTR1 1679/4885GAA 32/4885KMT2A 1113/4885

“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.