Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8724704

COC(=O)C1Cc2ccccc2CN1.Cl

nearest known ligand 0.61

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 18)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.55
OPRM1 known ✓ P35372 1/20 0.46
OPRD1 known ✓ P41143 1/20 0.46
OPRK1 known ✓ P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
BLM P54132 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44

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 SCHEMBL14059291 1.00 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL10749367 1.00 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL30665771 1.00 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL1491696 0.98 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL29715383 0.98 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL32677077 0.98 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL1491698 0.98 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL29707282 0.98 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL6866846 0.98 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL9254983 0.84 MEN1 (0.46) KDM4EALDH1A1CYP1A2GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746097-B2 LXR inverse agonists for treatment of cancer SAINT LOUIS UNIVERSITY (US) 2023-09-05 US disclosed
US-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2020-10-01 US disclosed
CN-111386127-A Nucleic acid-binding light probes and uses thereof 阿拉基斯医疗公司 2020-07-07 CN disclosed
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO disclosed
WO-2017223514-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2017-12-28 WO disclosed
CN-107311986-A The carboxylic acids inhibitor of heat shock protein 90 of Tetrahydroisoquinoli- beautiful jade 3 and its application 山东大学 2017-11-03 CN disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
CN-103732589-B Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-30 CN disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed
US-4644008-A Perhydroindole-2-carboxylic acids as antihypertensives ADIR (FR) 1987-02-17 US disclosed
US-4616031-A Perhydroindole-2-carboxylic acids as antihypertensives ADIR (FR) 1986-10-07 US disclosed
US-4616030-A Perhydroindole-2-carboxylic acids as antihypertensives ADIR (FR) 1986-10-07 US disclosed
US-4616029-A Perhydromdole-2-carboxylic acids as antihypertensives ADIR (FR) 1986-10-07 US disclosed
US-4565819-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS ADIR (FR) 1986-01-21 US disclosed
EP-0155809-A2 Renin inhibitors containing statine or derivatives thereof PFIZER INC. (US) 1985-09-25 EP disclosed
US-4508729-A Substituted iminodiacids, their preparation and pharmaceutical compositions containing them ADIR (FR) 1985-04-02 US disclosed
US-4381302-A (6aα,10aα,11aα)-2-(2-Pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydro-2H-pyrazino]1,2-b]isoquinoline and derivatives MERCK & CO., INC. (US) 1983-04-26 US disclosed
US-4104392-A N2 -naphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof, and antithrombotic compositions and methods employing them MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-08-01 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 (3 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-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER NR1H2, NR1H3, PPARD GAA 2615/4885OPRM1 2320/4885OPRD1 1020/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD GAA 2615/4885OPRM1 2320/4885OPRD1 1020/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 GAA 1774/4885OPRM1 4690/4885OPRD1 4012/4885

“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.