Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21994987

Cl.Cl.NC(C(=O)NC1CCC(NC(=O)C(N)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.58

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
GAA known ✓ P10253 1/20 0.45
TSHR P16473 2/20 0.49
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
GRM7 Q14831 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM1A O60341 1/20 0.44
EPHX1 P07099 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
CCR1 P32246 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BLM P54132 1/20 0.43

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
SCHEMBL4154774 0.98 TSHR (0.50) TSHRCCNA2CDK2CCNA1GRM7
SCHEMBL998303 0.98 TSHR (0.50) TSHRCCNA2CDK2CCNA1GRM7
SCHEMBL6376772 0.90 TSHR (0.61) TSHRGAANPSR1CYP3A4CYP2C19
SCHEMBL21237659 0.90 TSHR (0.61) TSHRGAANPSR1CYP3A4CYP2C19
SCHEMBL6529716 0.90 TSHR (0.61) TSHRGAANPSR1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4198661 0.82 SIGMAR1 (0.62) KMT2AALDH1A1
SCHEMBL2317579 0.80 SIGMAR1 (0.64) KMT2AALDH1A1
SCHEMBL6437249 0.80 POLB (0.62) TSHRGRM7CCR1ALDH1A1MAPT
SCHEMBL5566036 0.78 TSHR (0.43) TSHRCCNA2CDK2CCNA1GAA
SCHEMBL25464184 0.77 GRM7 (0.73) TSHRGRM7CYP3A4CYP2C19KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4342473-A2 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-03-27 EP disclosed
US-20240051972-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-15 US disclosed
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
US-11492361-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-08 US disclosed
US-20220119417-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-21 US disclosed
EP-3886987-A1 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-10-06 EP disclosed
US-20210009609-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-14 US disclosed
US-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 US disclosed
US-20200299309-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-24 US disclosed
WO-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 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-20220119417-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 GAA 134/4885TSHR 4870/4885CCNA2 2527/4885
US-20240051972-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 GAA 134/4885TSHR 4870/4885CCNA2 2527/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 GAA 134/4885TSHR 4870/4885CCNA2 2527/4885
US-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 GAA 223/4885TSHR 4875/4885CCNA2 3639/4885
US-11492361-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 GAA 115/4885TSHR 4878/4885CCNA2 2572/4885
US-20200299309-A1 Compounds Useful in HIV Therapy CCR5, SLC11A2, CD4 GAA 223/4885TSHR 4875/4885CCNA2 3639/4885
US-20210009609-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 GAA 115/4885TSHR 4878/4885CCNA2 2572/4885

“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.