Hydrochloric Acid

Hydrochloric Acid

SCHEMBL253519

Cl.Cl.O=C(O)CCP(CCC(=O)O)CCC(=O)O

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 20)

geneUniProtsupporting neighboursconfidence
HDAC3 known ✓ O15379 2/20 0.40
HDAC1 known ✓ Q13547 2/20 0.40
HDAC2 known ✓ Q92769 2/20 0.40
HDAC8 known ✓ Q9BY41 2/20 0.40
GABRP known ✓ O00591 1/20 0.36
GABRD known ✓ O14764 1/20 0.36
GABRA1 known ✓ P14867 1/20 0.36
GABRB1 known ✓ P18505 1/20 0.36
GABRG2 known ✓ P18507 1/20 0.36
GABRB3 known ✓ P28472 1/20 0.36
SLC6A1 known ✓ P30531 1/20 0.36
GABRA5 known ✓ P31644 1/20 0.36
GABRA3 known ✓ P34903 1/20 0.36
GABRA2 known ✓ P47869 1/20 0.36
GABRB2 known ✓ P47870 1/20 0.36
GABRA4 known ✓ P48169 1/20 0.36
HDAC4 known ✓ P56524 1/20 0.36
GABRE known ✓ P78334 1/20 0.36
GABRA6 known ✓ Q16445 1/20 0.36
GABRG1 known ✓ Q8N1C3 1/20 0.36

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 SCHEMBL61373 1.00 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Hydrochloric Acid SCHEMBL38657781 1.00 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Hydrochloric Acid SCHEMBL559051 0.97 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL28981504 0.97 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL40381 0.97 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL2121788 0.93 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Phosphine SCHEMBL1906956 0.93 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL20872325 0.93 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Water SCHEMBL4632803 0.93 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Hypochlorous Acid SCHEMBL3408792 0.90 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1SLC22A6

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
EP-4286387-A2 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-12-06 EP disclosed
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders IMMUNOGEN, INC. (US) 2023-10-24 US disclosed
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-08-17 US disclosed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
EP-3778602-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2023-07-12 EP disclosed
EP-4163284-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-04-12 EP disclosed
US-11116845-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-09-14 US disclosed
EP-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed
EP-3778602-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed
EP-3325482-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-24 EP disclosed
EP-3189056-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-10 EP disclosed
EP-3653628-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2020-05-20 EP disclosed
EP-3325485-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-04-08 EP disclosed
US-10392407-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-08-27 US disclosed
US-20190010169-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-01-10 US disclosed
US-20180346488-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF IMMUNOGEN, INC. 2018-12-06 US disclosed
WO-2018161049-A1 COMPOSITIONS AND METHODS FOR INDUCING HIV-1 ANTIBODIES DUKE UNIVERSITY (US) 2018-09-07 WO disclosed
US-20120004179-A1 MEANS AND METHODS FOR MANUFACTURING HIGHLY PURE NEUROTOXIN MERZ PHARMA GMBH & CO. KGAA (DE) 2012-01-05 US disclosed
WO-2011048044-A1 SYSTEM FOR DETERMINING UNPROCESSED AND PARTIALLY PROCESSED NEUROTOXIN TYPE A MERZ PHARMA GMBH & CO. KGAA (DE) 2011-04-28 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 (7 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-11116845-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 HDAC3 535/4885HDAC1 1801/4885HDAC2 1862/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 HDAC3 535/4885HDAC1 1801/4885HDAC2 1862/4885
US-20180346488-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF GABRA5, GABRA1, GABRA6 HDAC3 369/4885HDAC1 1366/4885HDAC2 1396/4885
US-10392407-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRB3 HDAC3 577/4885HDAC1 3117/4885HDAC2 1641/4885
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 HDAC3 577/4885HDAC1 3117/4885HDAC2 1641/4885
US-20190010169-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 HDAC3 577/4885HDAC1 3117/4885HDAC2 1641/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 HDAC3 690/4885HDAC1 1371/4885HDAC2 1199/4885

“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.