Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1044825

CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC.CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC.Cl.Cl

nearest known ligand 0.62

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
▸ HDAC1 known ✓ Q13547 3/20 0.33
▸ EGFR known ✓ P00533 2/20 0.33
▸ HSD17B10 Q99714 3/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ THRB P10828 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ APEX1 P27695 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ HSPD1 P10809 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ NFKB1 P19838 1/20 0.62

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 SCHEMBL1042399 1.00 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL1044115 1.00 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL3292729 0.99 HSD17B10 (0.61) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL6414612 0.99 HSD17B10 (0.61) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL3287063 0.99 HSD17B10 (0.61) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL314687 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL5447002 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL6413992 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL9609762 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603028 0.98 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 — — US claimed
US-9902745-B2 High-purity large-scale preparation of stannsoporfin INFACARE PHARMACEUTICAL CORPORATION (US) 2018-02-27 — — US claimed
WO-2018005759-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-01-04 — — WO claimed
EP-2384756-B1 High-purity large-scale preparation of stannsoporfin INFACARE PHARMACEUTICAL CORP (US) 2015-09-16 — — EP claimed
EP-2384756-A2 High-purity large-scale preparation of stannsoporfin InfaCare Pharmaceutical Corporation (US) 2011-11-09 — — EP claimed
EP-2079472-B1 HIGH-PURITY LARGE-SCALE PREPARATION OF STANNSOPORFIN INFACARE PHARMACEUTICAL CORP (US) 2011-09-14 — — EP claimed
US-7375216-B2 Preparation of metal mesoporphyrin compounds INFACARE PHARMACEUTICAL CORPORATION (US) 2008-05-20 — — US claimed
US-11078220-B2 High-purity large-scale preparation of stannsoporfin Mallinckrodt Hospital Products IP Limited (IE) 2021-08-03 — — US disclosed
US-20200255458-A1 HIGH-PURITY LARGE-SCALE PREPARATION OF STANNSOPORFIN MALLINCKRODT LLC 2020-08-13 — — US disclosed
US-10662209-B2 High-purity large-scale preparation of stannsoporfin Mallinckrodt Hospital Products IP Limited (IE) 2020-05-26 — — US disclosed
US-10533024-B2 Methods for synthesizing metal mesoporphyrins MALLINCKRODT HOSPTIAL PRODUCTS IP LIMITED (IE) 2020-01-14 — — US disclosed
CN-110279699-A With the method for stannsoporfin treatment hyperbilirubinemia 马林克罗特医疗产品知识产权公司 2019-09-27 — — CN disclosed
EP-3517115-A2 METHODS FOR TREATING HYPERBILIRUBINEMIA WITH STANNSOPORFIN InfaCare Pharmaceutical Corporation (US) 2019-07-31 — — EP disclosed
EP-1509527-A2 PREPARATION OF METAL MESOPORPHYRIN HALIDE COMPOUNDS Wellspring Pharmaceutical Corporation (US) 2005-03-02 — — EP disclosed
US-6818763-B2 Preparation of metal mesoporphyrin halide compounds WELLSPRING PHARMACEUTICAL CORPORATION 2004-11-16 — — US disclosed
US-20040210048-A1 Preparation of metal mesoporphyrin halide compounds WELLSPRING PHARMACEUTICAL CORPORATION 2004-10-21 — — US disclosed
WO-2004045546-A2 WATER-SOLUBLE MESOPORPHYRIN COMPOUNDS AND METHODS OF PREPARATION WELLSPRING PHARMACEUTICAL CORPORATION (US) 2004-06-03 — — WO disclosed
US-20040097481-A1 Water-soluble mesoporphyrin compounds and methods of preparation WELLSPRING PHARMACEUTICAL CORPORATION 2004-05-20 — — US disclosed
WO-2003101999-A2 PREPARATION OF METAL MESOPORPHYRIN HALIDE COMPOUNDS WELLSPRING PHARMACEUTICAL CORPORATION (US) 2003-12-11 — — WO disclosed
US-20030225264-A1 Preparation of metal mesoporphyrin halide compounds SpecGx LLC 2003-12-04 — — 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 (4 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-10662209-B2 High-purity large-scale preparation of stannsoporfin SNRPF, HNRNPF, NUP188 HDAC1 2667/4885EGFR 1970/4885HSD17B10 2207/4885
US-20200255458-A1 HIGH-PURITY LARGE-SCALE PREPARATION OF STANNSOPORFIN SNRPF, HNRNPF, NUP188 HDAC1 2667/4885EGFR 1970/4885HSD17B10 2207/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX HDAC1 236/4885EGFR 3678/4885HSD17B10 703/4885
US-11078220-B2 High-purity large-scale preparation of stannsoporfin SNRPF, HNRNPF, NUP188 HDAC1 2667/4885EGFR 1970/4885HSD17B10 2207/4885

“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.

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