Hydrochloric Acid

Hydrochloric Acid

SCHEMBL76051

Cl.O=C(O)Cc1ccc(Cl)cc1

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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.60
GAA known ✓ P10253 1/20 0.56
PTGS1 known ✓ P23219 1/20 0.56
PIK3CA known ✓ P42336 2/20 0.48
CAMK2A Q9UQM7 1/20 0.60
AKR1B1 P15121 1/20 0.58
CTBP2 P56545 1/20 0.57
LMNA P02545 2/20 0.56
ABCC4 O15439 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
TBXA2R P21731 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 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
SCHEMBL75665 0.98 CA2 (0.62) CA2CAMK2AAKR1B1CTBP2LMNA
Methane SCHEMBL1994900 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL28038880 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL4211639 0.91 ABCC4 (0.69) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL11830858 0.89 CA2 (0.54) CA2CAMK2AAKR1B1CTBP2LMNA
Hydrochloric Acid SCHEMBL25180348 0.87 CA2 (0.75) CA2CAMK2AAKR1B1LMNAABCC4
Hydrochloric Acid SCHEMBL6765874 0.87 CA2 (0.75) CA2CAMK2AAKR1B1LMNAABCC4
SCHEMBL6441891 0.86 SRD5A2 (0.62) CA2CAMK2AFFAR1
SCHEMBL5465427 0.86 PDE4B (0.53) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL11565077 0.86 CYP26A1 (0.51) CA2CAMK2AAKR1B1CTBP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
EP-1919857-B1 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
US-8129560-B2 Process for the synthesis of mandipropamid and derivatives thereof SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof SYNGENTA CROP PROTECTION, INC. (US) 2009-05-07 US disclosed
EP-1919857-A2 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF Syngeta Participations AG (CH) 2008-05-14 EP disclosed
WO-2007038425-A2 ANTI-VIRAL COMPOUINDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-05 WO disclosed
WO-2007020381-A2 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
US-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 US disclosed
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed
US-5147889-A Antiinflammatory, analgesic CIBA-GEIGY CORPORATION (US) 1992-09-15 US disclosed
US-5051421-A Analgesics and antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
US-4639541-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-01-27 US disclosed
US-4473560-A Diphosphonic acid derivatives and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
US-4349556-A Pesticidally active 1-acyloxy-1-phenyl-2-azolyl-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
US-4266066-A FROM CARBOXYLIC ACYL HALIDE AND ALUMINUM ALKYL COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
US-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 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 (4 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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC CA2 4433/4885GAA 622/4885PTGS1 877/4885
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 CA2 924/4885GAA 30/4885PTGS1 121/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 CA2 924/4885GAA 30/4885PTGS1 121/4885
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof OPRM1, OPRD1, ADRA1D CA2 568/4885GAA 3441/4885PTGS1 757/4885

“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.