Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4205709

Cl.N[C@H](C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.54

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 16)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 2/20 0.51
SCN5A known ✓ Q14524 1/20 0.49
SCN9A known ✓ Q15858 1/20 0.49
GAA known ✓ P10253 1/20 0.49
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.49
BACE1 P56817 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
MME P08473 1/20 0.48

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
Hydrochloric Acid SCHEMBL4205714 1.00 KMT2A (0.54) KMT2AMEN1POLBMMP8CYP1A2
SCHEMBL4220537 0.98 KMT2A (0.55) KMT2AMEN1POLBMMP8CYP1A2
Hydrochloric Acid SCHEMBL21995166 0.97 KMT2A (0.58) KMT2AMEN1POLBMMP8CYP1A2
SCHEMBL5556480 0.89 BACE1 (0.61) KMT2AMEN1MMP8CYP1A2CYP2D6
SCHEMBL6256447 0.87 MEN1 (0.73) KMT2AMEN1POLBGAAPKM
SCHEMBL19465496 0.87 KMT2A (0.64) KMT2AMEN1POLBCYP1A2CYP2D6
SCHEMBL3164799 0.87 ALDH1A1 (0.55) KMT2AMEN1POLBCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5041868 0.85 TPSAB1 (0.60) KMT2AMEN1
Hydrochloric Acid SCHEMBL27489902 0.85 CASR (0.60) KMT2AMEN1TSHRPKM
Hydrochloric Acid SCHEMBL5041862 0.85 TPSAB1 (0.60) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1880304-B Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER 2010-11-24 CN disclosed
CN-1522246-B Triamide-substituted indoles, benzofurans and benzothiophenes PFIZER 2010-04-21 CN disclosed
US-7482368-B2 Triamide-substituted heterobicyclic compounds PFIZER INC (US) 2009-01-27 US disclosed
EP-1404653-B1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PROD INC (US) 2008-08-20 EP disclosed
US-7348355-B2 Treating obesity with the Microsomal triglyceride transfer protein inhibitor (S) N-{2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-[4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamido]-1H-indole-2-carboxamide and another lipid lowering agent such as a statin or fibrate PFIZER INC. (US) 2008-03-25 US disclosed
CN-1880304-A Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER (US) 2006-12-20 CN disclosed
US-20060194772-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2006-08-31 US disclosed
US-20050288335-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-12-29 US disclosed
US-6979692-B2 such as (S)-1-ethyl-5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]amide; for treatment of obesity and lipid disorders; diabetes PFIZER INC. (US) 2005-12-27 US disclosed
EP-1578725-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2005-09-28 EP disclosed
US-6949572-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2005-09-27 US disclosed
US-20050080108-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-04-14 US disclosed
CN-1522246-A Triamide-substituted indoles, benzofurans and benzothiophenes as inhibitors of microsomal triglyceride transfer protein (MTP) and/or apolipoprotein B (APO B) secretion �Ʒ� 2004-08-18 CN disclosed
WO-2004056777-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 US disclosed
US-20040087625-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2004-05-06 US disclosed
US-6720351-B2 1H-INDOLE-2-CARBOXYLIC ACID (2-(BENZYL(METHYL)AMINO) -2-OXO-1-PHENYLETHYL)AMIDES; TRIAMIDE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) INHIBITORS; OBESITY; ANTILIPEMIC AGENTS PFIZER INC. 2004-04-13 US disclosed
EP-1404653-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION Pfizer Products Inc. (US) 2004-04-07 EP disclosed
US-20030187053-A1 Triamide-substituted heterobicyclic compounds PFIZER INC. 2003-10-02 US disclosed
WO-2003002533-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PRODUCTS INC. (US) 2003-01-09 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-20060194772-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP MMP8 4557/4885SCN5A 4178/4885SCN9A 4084/4885
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor MTTP, CETP, APOB MMP8 3559/4885SCN5A 3403/4885SCN9A 4248/4885
US-20040087625-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP MMP8 3068/4885SCN5A 3254/4885SCN9A 3459/4885
US-20050288335-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP MMP8 4557/4885SCN5A 4178/4885SCN9A 4084/4885
US-20030187053-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP MMP8 3068/4885SCN5A 3254/4885SCN9A 3459/4885
US-20050080108-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP MMP8 4586/4885SCN5A 3971/4885SCN9A 4086/4885

“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.