Hydrochloric Acid

Hydrochloric Acid

SCHEMBL584919

Cl.c1ccc(CONc2ccccc2)cc1

nearest known ligand 0.48

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
BCHE known ✓ P06276 1/20 0.38
MAOB known ✓ P27338 1/20 0.38
AGXT P21549 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
IDO1 P14902 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HRAS P01112 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SGMS2 Q8NHU3 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL311949 0.98 TSHR (0.50) AGXTTSHRNPC1RAB9AIDO1
Hydrochloric Acid SCHEMBL27812956 0.86 AGXT (0.41) AGXTTSHRNPC1RAB9AIDO1
SCHEMBL29222023 0.85 AGXT (0.48) AGXTTSHRNPC1RAB9AIDO1
SCHEMBL31634177 0.84 RAB9A (0.54) AGXTNPC1RAB9AIDO1MEN1
SCHEMBL31634208 0.84 RAB9A (0.50) AGXTNPC1RAB9AIDO1MEN1
SCHEMBL6334977 0.84 POLB (0.46)
SCHEMBL31634216 0.84 MAOB (0.46) AGXTNPC1RAB9AIDO1L3MBTL1
SCHEMBL31634175 0.84 IDO1 (0.45) NPC1RAB9AIDO1MEN1KMT2A
SCHEMBL8340183 0.84 TSHR (0.41) AGXTTSHRNPC1RAB9AIDO1
SCHEMBL30665225 0.84 AR (0.47) TSHRNPC1RAB9AIDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627704-B Preparation method of bazedoxifene 艾瑞吉瑞股份公司 2024-02-23 CN disclosed
CN-110627704-A Preparation method of bazedoxifene 艾瑞吉瑞股份公司 2019-12-31 CN disclosed
EP-2632916-A1 NOVEL ANTI-CANCER AGENTS The Walter and Eliza Hall Institute of Medical Research (AU) 2013-09-04 EP disclosed
US-8500990-B2 Electrochemical biosensors based on NAD(P)-dependent dehydrogenase enzymes NOVA BIOMEDICAL CORPORATION (US) 2013-08-06 US disclosed
WO-2012054978-A1 NOVEL ANTI-CANCER AGENTS LUDWIG INSTITUTE FOR CANCER RESEARCH LIMITED (US) 2012-05-03 WO disclosed
EP-2118058-B9 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2012-03-28 EP disclosed
EP-2118058-B1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2011-06-08 EP disclosed
CN-102001955-A Method for synthesizing 4-benzyloxy aniline hydrochloride XUZHOU RUISAI TECHNOLOGY INDUSTRY CO LTD 2011-04-06 CN disclosed
US-20100270175-A1 Electrochemical biosensors based on NAD(P)-dependent dehydrogenase enzymes NOVA BIOMEDICAL CORPORATION (US) 2010-10-28 US disclosed
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 US disclosed
EP-1268849-A2 REAGENTS AND METHODS FOR DETECTING A REDUCED COFACTOR Lifescan, Inc. (US) 2003-01-02 EP disclosed
CN-1382151-A Glucopyranosides conjugates of 2-(4-hydroxy-phenyl)-1-[4-(2-amin-1-yl-ethoxy)-benzyl)-1h-indol-5-ols AMERICAN HOME PROD (US) 2002-11-27 CN disclosed
US-20020132282-A1 Test strips for detecting the presence of a reduced cofactor in a sample and methods for using the same LIFESCAN, INC. 2002-09-19 US disclosed
US-6420128-B1 ABSORBENT MATERAL FOR USE IN THE DETETION OF PREFERENTIAL PARTICLES IN BLOOD LIFESCAN, INC. 2002-07-16 US disclosed
EP-1212335-A1 GLUCOPYRANOSIDES CONJUGATES OF 2-(4-HYDROXY-PHENYL)-1- 4-(2-AMIN-1-YL-ETHOXY)-BENZYL]-1H-INDOL-5-OLS AMERICAN HOME PRODUCTS CORPORATION (US) 2002-06-12 EP disclosed
WO-2002022855-A2 TEST-STRIPS WITH POSITIVELY CHARGED MEMBRANES FOR TETRAZOLIUM BASED ASSAYS LIFESCAN, INC. (US) 2002-03-21 WO disclosed
WO-2001073114-A2 REAGENTS AND METHODS FOR DETECTING A REDUCED COFACTOR LIFESCAN, INC. (US) 2001-10-04 WO disclosed
WO-2001019839-A1 GLUCOPYRANOSIDES CONJUGATES OF 2-(4-HYDROXY-PHENYL)-1-[4-(2-AMIN-1-YL-ETHOXY)-BENZYL]-1H-INDOL-5-OLS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-03-22 WO disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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 (1 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-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE CYP19A1, CYP17A1, SHBG BCHE 190/4885MAOB 85/4885AGXT 3949/4885

“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.