Hydrochloric Acid

Hydrochloric Acid

SCHEMBL620189

Cl.Cl.Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.32

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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
TPMT P51580 1/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31

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 SCHEMBL28391599 1.00 KDM4E (0.32) KDM4EKMT2ATPMTCYP1A2LMNA
SCHEMBL377437 0.97 TPMT (0.33) KDM4EKMT2ATPMTCYP1A2LMNA
SCHEMBL6397169 0.95 KDM4E (0.32) KDM4EKMT2ATPMTCYP1A2LMNA
SCHEMBL621486 0.92 TPMT (0.33) KDM4EKMT2ATPMTCYP1A2LMNA
SCHEMBL6389935 0.90 KDM4E (0.32) KDM4EKMT2ATPMTCYP1A2LMNA
SCHEMBL3664084 0.88 LMNA (0.32) LMNA
SCHEMBL31086827 0.86 TPMT (0.33) KDM4EKMT2ATPMTCYP1A2LMNA
SCHEMBL3728638 0.86
SCHEMBL12957727 0.86
SCHEMBL3830951 0.86 LMNA (0.34) KDM4EKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548461-B1 MECHANOCHEMICAL SYNTHESIS OF RADIOGRAPHIC AGENTS INTERMEDIATES BRACCO IMAGING SPA (IT) 2021-02-03 EP claimed
US-10836710-B2 Mechanochemical synthesis of radiographic agents intermediates BRACCO IMAGING SPA (IT) 2020-11-17 US claimed
US-20200079728-A1 MECHANOCHEMICAL SYNTHESIS OF RADIOGRAPHIC AGENTS INTERMEDIATES BRACCO IMAGING SPA (IT) 2020-03-12 US claimed
US-8624061-B2 Process for the preparation of iodinated contrast agent BRACCO IMAGING S.P.A. (IT) 2014-01-07 US claimed
EP-0901460-B1 A PROCESS FOR THE PREPARATION OF 5-AMINO-2,4,6-TRIIODO-1,3-BENZENEDICARBOXYLIC ACID DERIVATIVES BRACCO IMAGING SPA (IT) 2002-09-18 EP claimed
EP-0851854-B1 PROCESS FOR THE PURIFICATION OF AN INTERMEDIATE IN THE PREPARATION OF IOPAMIDOL BRACCO IMAGING SPA (IT) 2001-12-12 EP claimed
EP-0773925-B1 PROCESS FOR THE PREPARATION OF A DICARBOXYLIC ACID DICHLORIDE FRUCTAMINE SPA (IT) 2000-02-09 EP claimed
EP-0794937-B1 PROCESS FOR PREPARING 5-AMINO-2,4,6-TRIIODOISOPHTHALIC ACID DICHLORIDE BY CHLORINATION OF THE CORRESPONDING ACID IN THE PRESENCE OF A TERTIARY AMINE SALT OR QUARTERNARY AMMONIUM SALT BRACCO INT BV (NL) 1999-04-07 EP claimed
EP-0773924-B1 PROCESS FOR THE PREPARATION OF A DICARBOXYLIC ACID DICHLORIDE FRUCTAMINE SPA (IT) 1999-02-10 EP claimed
US-5856570-A Process for preparing 5-amino-2,4,6-triiodoisophthalic acid dichloride by chlorination of the corresponding acid in the presence of a tertiary amine salt or quaternary ammonium salt BRACCO INTERNATIONAL B.V. (NL) 1999-01-05 US claimed
US-5672735-A 5-((ACETYLOXY)-1-OXOPROPYL)AMINO)-2,4,6-TRIIODO-1,3-BENZENEDI CARBONYL CHLORIDE BY REACTING 5-AMINO-2,4,6-TRIIODOBENZENE DICARBONYL CHLORIDE WITH THE PROPIONYL CHLORIDE COMPOUND USING AN APROTIC DIPOLAR SOLVENT AND HALOHYDRIC ACID CATALYST FRUCTAMINE S.P.A. (IT) 1997-09-30 US claimed
US-5663432-A CATALYZED BY A TETRAALKYLAMMONIUM SALT ZAMBON GROUP S.P.A. (IT) 1997-09-02 US claimed
EP-0773925-A1 PROCESS FOR THE PREPARATION OF A DICARBOXYLIC ACID DICHLORIDE Fructamine S.P.A. (IT) 1997-05-21 EP claimed
EP-0773924-A1 PROCESS FOR THE PREPARATION OF A DICARBOXYLIC ACID DICHLORIDE Fructamine S.P.A. (IT) 1997-05-21 EP claimed
US-5616795-A REACTING 5-AMINO-2,4,6-TRIIODO-1,3-BENZENEDICARBOXLYIC ACID AND THIONYL CHLORIDE IN SOLVENT WITH TERTIARY AMINE CATALYST FRUCTAMINE S.P.A. (IT) 1997-04-01 US claimed
US-5580993-A Process for the preparation of iopamidol and 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON GROUP S.P.A. (IT) 1996-12-03 US claimed
WO-1996037459-A1 PROCESS FOR THE PREPARATION OF A DICARBOXYLIC ACID DICHLORIDE FRUCTAMINE S.P.A. (IT) 1996-11-28 WO claimed
WO-1996037460-A1 PROCESS FOR THE PREPARATION OF A DICARBOXYLIC ACID DICHLORIDE FRUCTAMINE S.P.A. (IT) 1996-11-28 WO claimed
WO-1996036590-A1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4,6-TRIIODOISOPHTHALIC ACID DICHLORIDE BY CHLORINATION WITH THIONYL CHLORIDE IN THE PRESENCE OF A CATALYST BRACCO INTERNATIONAL B:V. (NL) 1996-11-21 WO claimed
US-5362905-A Process for the preparation of L-5-(2-acetoxy-propionylamino)-2,4,6-triiodo-isophthalic acid dichloride ZAMBON GROUP S.P.A. (IT) 1994-11-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10836710-B2 Mechanochemical synthesis of radiographic agents intermediates ALG1, OGT, MPI KDM4E 4565/4885KMT2A 3770/4885TPMT 2768/4885
US-20200079728-A1 MECHANOCHEMICAL SYNTHESIS OF RADIOGRAPHIC AGENTS INTERMEDIATES ALG1, OGT, MPI KDM4E 4565/4885KMT2A 3770/4885TPMT 2768/4885

“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.