Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6749409

Cl.N[C@H](CO)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
KMO O15229 1/20 0.48
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRM4 Q14833 1/20 0.47
EPHX1 P07099 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
F2 P00734 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 SCHEMBL29643165 1.00 TSHR (0.53) TSHRPRSS1PRSS2PRSS3ALDH1A1
Hydrochloric Acid SCHEMBL6751569 1.00 TSHR (0.53) TSHRPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6191530 0.98 TSHR (0.54) TSHRPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL30537970 0.98 TSHR (0.54) TSHRPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL16836911 0.98 TSHR (0.54) TSHRPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6188426 0.98 TSHR (0.54) TSHRPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL30762196 0.84 TSHR (0.56) TSHRALDH1A1LMNAKMOGRM8
SCHEMBL8385351 0.83 TSHR (0.57) TSHRALDH1A1LMNAKMOGRM8
Hydrochloric Acid SCHEMBL21412744 0.83 TSHR (0.57) TSHRALDH1A1LMNAGRM8GRM6
Hydrochloric Acid SCHEMBL1645598 0.83 TSHR (0.57) TSHRALDH1A1LMNAGRM8GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999786-B2 Anti-CD48 antibodies, antibody drug conjugates, and uses thereof NOVARTIS AG (CH) 2024-06-04 US disclosed
EP-4251648-A2 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF Novartis AG (CH) 2023-10-04 EP disclosed
WO-2022112942-A2 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF NOVARTIS AG (CH) 2022-06-02 WO disclosed
US-20220162308-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF NOVARTIS AG (CH) 2022-05-26 US disclosed
US-20210228731-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2021-07-29 US disclosed
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
EP-3154997-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF Novartis AG (CH) 2017-04-19 EP disclosed
WO-2016203432-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2016-12-22 WO disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
WO-2015189791-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2015-12-17 WO disclosed
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 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 (11 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-11999786-B2 Anti-CD48 antibodies, antibody drug conjugates, and uses thereof ITGB8, ITGA8, CD4 TSHR 2740/4885PRSS1 1849/4885PRSS2 2525/4885
US-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP TSHR 2353/4885PRSS1 1903/4885PRSS2 2657/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM TSHR 4722/4885PRSS1 2297/4885PRSS2 2818/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP TSHR 2353/4885PRSS1 1903/4885PRSS2 2657/4885
US-20210228731-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS BCR, ABL1, CD47 TSHR 3696/4885PRSS1 3750/4885PRSS2 3919/4885
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 TSHR 1602/4885PRSS1 1560/4885PRSS2 1587/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP TSHR 2353/4885PRSS1 1903/4885PRSS2 2657/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 TSHR 1054/4885PRSS1 1482/4885PRSS2 1684/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB TSHR 2603/4885PRSS1 2328/4885PRSS2 3723/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 TSHR 1608/4885PRSS1 1470/4885PRSS2 1637/4885
US-20220162308-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF ITGB8, ITGA8, CD4 TSHR 2740/4885PRSS1 1849/4885PRSS2 2525/4885

“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.