Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10325011

CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1.Cl.[Cl-]

nearest known ligand 0.59

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 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG known ✓ P37231 1/20 0.59
▸ CHRM1 known ✓ P11229 1/20 0.46
▸ AVPR2 known ✓ P30518 3/20 0.45
▸ MEN1 O00255 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ FPR2 P25090 4/20 0.54
▸ TGM2 P21980 1/20 0.54
▸ TLR7 Q9NYK1 1/20 0.48
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FTO Q9C0B1 1/20 0.43
▸ NPY4R P50391 3/20 0.43
▸ P2RY6 Q15077 1/20 0.41

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 SCHEMBL31337069 1.00 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL29354092 0.99 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL30207638 0.99 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL18617 0.99 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.98 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL3903552 0.98 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
Perchlorate SCHEMBL31688153 0.95 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Acetic Acid SCHEMBL29510237 0.95 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL3506817 0.94 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Piperazine SCHEMBL1317991 0.94 MEN1 (0.55) MEN1BLMKMT2AUSP2POLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3014274-B1 RATIOMETRIC ASSAY FOR HYDROLYTIC ENZYME QUANTIFICATION FUNDACIÓ INST CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2017-08-09 — — EP disclosed
US-9511064-B2 Combination therapy for the treatment of cancer and immunosuppression BASILEA PHARMACEUTICA AG (CH) 2016-12-06 — — US disclosed
US-20160139137-A1 RATIOMETRIC ASSAY FOR HYDROLYTIC ENZYME QUANTIFICATION INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS (ES) 2016-05-19 — — US disclosed
EP-3014274-A1 RATIOMETRIC ASSAY FOR HYDROLYTIC ENZYME QUANTIFICATION Fundació Institut Català D'investigació Quimica (ES) 2016-05-04 — — EP disclosed
US-20150157622-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION BASILEA PHARMACEUTICA AG (CH) 2015-06-11 — — US disclosed
US-20150157623-A1 COMBINATION OF SYROSINGOPINE AND MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION UNI OF BASEL (CH) 2015-06-11 — — US disclosed
EP-2872505-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION Basilea Pharmaceutica AG (CH) 2015-05-20 — — EP disclosed
CN-104603133-A Combination therapy for the treatment of cancer and immunosuppression BASILEA PHARMACEUTICA AG 2015-05-06 — — CN disclosed
US-8993587-B2 Combination of syrosingopine and mitochondrial inhibitors for the treatment of cancer and immunosuppression UNIVERSITAT BASEL (CH) 2015-03-31 — — US disclosed
EP-2818868-A1 Ratiometric assay for hydrolytic enzyme quantification Fundació Institut Català d'Investigació Química (ES) 2014-12-31 — — EP disclosed
WO-2014206918-A1 RATIOMETRIC ASSAY FOR HYDROLYTIC ENZYME QUANTIFICATION FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2014-12-31 — — WO disclosed
WO-2014009222-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION BASILEA PHARMACEUTICA AG (CH) 2014-01-16 — — WO disclosed
EP-2663298-A1 COMBINATION OF SYROSINGOPINE AND MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION Universität Basel (CH) 2013-11-20 — — EP disclosed
US-20130281478-A1 COMBINATION OF SYROSINGOPINE AND MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION UNIVERSITAT BASEL (CH) 2013-10-24 — — US disclosed
WO-2012095379-A1 COMBINATION OF SYROSINGOPINE AND MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION UNIVERSITÄT BASEL (CH) 2012-07-19 — — 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 (3 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-20150157623-A1 COMBINATION OF SYROSINGOPINE AND MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION SHMT2, MAVS, COX5A PPARG 3727/4885CHRM1 3534/4885AVPR2 4767/4885
US-20130281478-A1 COMBINATION OF SYROSINGOPINE AND MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION SHMT2, MAVS, COX5A PPARG 3727/4885CHRM1 3534/4885AVPR2 4767/4885
US-20150157622-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION MAVS, NDUFAF1, TFAM PPARG 2290/4885CHRM1 3011/4885AVPR2 3699/4885

“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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