Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1715477

Cl.NOCc1ccccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 1.00
TAAR1 Q96RJ0 1/20 0.50
AGXT P21549 1/20 0.48
PARP10 Q53GL7 1/20 0.46

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 SCHEMBL1715773 1.00 IDO1 (1.00) IDO1TAAR1AGXTPARP10
SCHEMBL1520931 0.98 IDO1 (1.00) IDO1TAAR1PARP10
SCHEMBL438499 0.80 IDO1 (0.76) IDO1AGXT
SCHEMBL3865796 0.78 IDO1 (0.67) IDO1TAAR1PARP10
SCHEMBL11513287 0.78 IDO1 (0.67) IDO1TAAR1PARP10
SCHEMBL10209576 0.77 IDO1 (0.64) IDO1AGXT
SCHEMBL21089401 0.75 IDO1 (0.62) IDO1TAAR1PARP10
SCHEMBL8703610 0.75 TAAR1 (0.64) IDO1TAAR1PARP10
SCHEMBL29930048 0.75 TAAR1 (0.64) IDO1TAAR1PARP10
SCHEMBL1146014 0.74 IDO1 (0.61) IDO1TAAR1PARP10

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-112645835-A Preparation method of benzyloxyamine hydrochloride 宁波四明化工有限公司 2021-04-13 CN 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-7803954-B2 Competitive and selective inhibitors of trypsin-like serine proteases involved in hemostasis; anticoagulants; Ph(3-Cl)(5-OCHF2) (R)CH(OH)C(O)-Aze-Pab(OMe); oral administration; gelling matrix modified-release system ASTRAZENECA AB (SE) 2010-09-28 US disclosed
CN-1906155-B Novel hydroxamic acid ester derivant and pharmaceutical use thereof LEO PHARMA AS 2010-06-23 CN disclosed
US-20100087651-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS INGHARDT TORD 2010-04-08 US disclosed
US-7645751-B2 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA (SE) 2010-01-12 US disclosed
US-20080090800-A1 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2008-04-17 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-09-20 US disclosed
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-08-30 US disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN disclosed
US-7129233-B2 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-10-31 US disclosed
US-20060052314-A1 Pharmaceutical combination ASTRAZENECA AB (SE) 2006-03-09 US disclosed
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2004-01-29 US disclosed
US-6433186-B1 TREATMENT OF CONDITIONS WHERE INHIBITION OF THROMBIN IS REQUIRED (E.G. THROMBOSIS) OR AS ANTICOAGULANTS. ASTRAZENECA AB (SE) 2002-08-13 US disclosed
US-20020068730-A1 New amidino derivatives and their use as thormbin inhibitors ASTRAZENECA AB (SE) 2002-06-06 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 (8 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-20080090800-A1 Mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 IDO1 1206/4885TAAR1 756/4885AGXT 243/4885
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 IDO1 782/4885TAAR1 128/4885AGXT 535/4885
US-20100087651-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS TFPI, F2R, F2 IDO1 1616/4885TAAR1 776/4885AGXT 199/4885
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 IDO1 1616/4885TAAR1 776/4885AGXT 199/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 IDO1 2524/4885TAAR1 1991/4885AGXT 1395/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 IDO1 3029/4885TAAR1 3155/4885AGXT 131/4885
US-20020068730-A1 New amidino derivatives and their use as thormbin inhibitors SERPINC1, SERPINE1, ADAMTS1 IDO1 1137/4885TAAR1 1087/4885AGXT 371/4885
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 IDO1 1616/4885TAAR1 776/4885AGXT 199/4885

“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.