Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1715316

CC(ON)c1ccccc1.Cl

nearest known ligand 0.50

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 10)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.43
ADRA2C known ✓ P18825 1/20 0.43
IDO1 P14902 12/20 0.47
TDO2 P48775 9/20 0.47
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 2/20 0.44
IDO2 Q6ZQW0 1/20 0.44
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1714251 0.97 TAAR1 (0.46) IDO1TDO2ALDH1A1TAAR1ADRA2A
Hydrochloric Acid SCHEMBL28273439 0.79 ALDH1A1 (0.44) ALDH1A1TAAR1ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL28482713 0.76 ALDH1A1 (0.48) ALDH1A1TAAR1ADRA2AADRA2CLMNA
SCHEMBL464725 0.76 HCAR2 (0.45) ALDH1A1TAAR1ADRA2AADRA2CLMNA
SCHEMBL198133 0.76 HCAR2 (0.45) ALDH1A1TAAR1ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL28935844 0.75 ALDH1A1 (0.41) ALDH1A1TAAR1ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL7523322 0.75 ALDH1A1 (0.41) ALDH1A1TAAR1ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL30770150 0.75 ALDH1A1 (0.42) IDO1TDO2ALDH1A1TAAR1ADRA2A
Hydrochloric Acid SCHEMBL31618470 0.75 TDP1 (0.48) IDO1ALDH1A1
SCHEMBL2737141 0.74 THRB (0.45) ALDH1A1TAAR1ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107934134-B Bearing structure 勒斯维克私人有限责任公司 2021-11-19 CN disclosed
US-20170057954-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-02 US disclosed
EP-2376487-B1 THIAZOLYL OXIME ETHER AND HYDRAZONES AS PLANT PROTECTION AGENT BAYER IP GMBH (DE) 2016-01-06 EP disclosed
US-9215875-B2 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 US disclosed
US-20140296289-A1 Thiazolyl Oxime Ethers and Hydrazones as Crop Protection Agents BAYER CROPSCIENCE AG (DE) 2014-10-02 US disclosed
US-8697878-B2 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2014-04-15 US disclosed
CN-101605794-B Azabenzofuranyl compounds and methods of use GENENTECH INC US 2013-06-12 CN disclosed
CN-102292334-A Thiazolyl oxime ether and hydrazones asl plant protection agent 2011-12-21 CN disclosed
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
EP-2376487-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT Bayer CropScience AG (DE) 2011-10-19 EP disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
CN-1906155-B Novel hydroxamic acid ester derivant and pharmaceutical use thereof LEO PHARMA AS 2010-06-23 CN disclosed
WO-2010066353-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT BAYER CROPSCIENCE AG (DE) 2010-06-17 WO disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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 (5 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-20170057954-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AADAC, PAICS, TNNI3 ADRA2A 509/4885ADRA2C 305/4885IDO1 236/4885
US-20140296289-A1 Thiazolyl Oxime Ethers and Hydrazones as Crop Protection Agents OXSR1, FOXO1, HAX1 ADRA2A 3159/4885ADRA2C 3926/4885IDO1 530/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 ADRA2A 3701/4885ADRA2C 3454/4885IDO1 358/4885
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents OXSR1, FOXO1, HAX1 ADRA2A 3159/4885ADRA2C 3926/4885IDO1 530/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ADRA2A 3255/4885ADRA2C 4332/4885IDO1 3029/4885

“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.