Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2383301

Cl.NCCNS(=O)(=O)c1cccc2cnccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
PRKCG known ✓ P05129 5/20 0.97
PRKCZ known ✓ Q05513 5/20 0.97
PRKCD known ✓ Q05655 5/20 0.97
PRKD3 known ✓ O94806 4/20 0.97
PRKCB known ✓ P05771 4/20 0.97
PRKCA known ✓ P17252 4/20 0.97
PRKCH known ✓ P24723 4/20 0.97
PRKCI known ✓ P41743 4/20 0.97
PRKCE known ✓ Q02156 4/20 0.97
PRKCQ known ✓ Q04759 4/20 0.97
PRKD1 known ✓ Q15139 4/20 0.97
GLA known ✓ P06280 1/20 0.72
FLT3 known ✓ P36888 4/20 0.57
ROCK2 known ✓ O75116 3/20 0.57
SCN1A known ✓ P35498 1/20 0.56
SCN2A known ✓ Q99250 1/20 0.56
SCN3A known ✓ Q9NY46 1/20 0.56
KDR known ✓ P35968 1/20 0.55
ROCK1 known ✓ Q13464 1/20 0.55
LMNA P02545 3/20 1.00

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 SCHEMBL30574273 1.00 LMNA (1.00) LMNASMN1; SMN2MEN1KMT2APRKACA
Hydrochloric Acid SCHEMBL29993804 1.00 LMNA (1.00) LMNASMN1; SMN2MEN1KMT2APRKACA
Hydrochloric Acid SCHEMBL1165673 1.00 LMNA (1.00) LMNASMN1; SMN2MEN1KMT2APRKACA
SCHEMBL29968125 0.99 PRKACA (1.00) LMNASMN1; SMN2MEN1KMT2APRKACA
SCHEMBL1272424 0.99 PRKACA (1.00) LMNASMN1; SMN2MEN1KMT2APRKACA
SCHEMBL5663814 0.91 PRKACA (0.85) LMNASMN1; SMN2MEN1KMT2APRKACA
SCHEMBL9541290 0.90 PRKCG (0.86) LMNASMN1; SMN2MEN1KMT2APRKACA
SCHEMBL2906055 0.90 CYP3A4 (0.83) LMNASMN1; SMN2MEN1KMT2APRKACA
Hydrochloric Acid SCHEMBL30639801 0.89 LMNA (0.81) LMNASMN1; SMN2MEN1KMT2APRKACA
Hydrochloric Acid SCHEMBL27202566 0.89 LMNA (0.81) LMNASMN1; SMN2MEN1KMT2APRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US claimed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO claimed
US-20240287027-A1 PREPARATION METHOD FOR COMPOUND FASUDIL HYDROCHLORIDE EAST CHINA UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2024-08-29 US disclosed
US-20240130367-A1 PLANT GROWTH PROMOTERS UNIVERSITY OF DURHAM (GB) 2024-04-25 US disclosed
CN-116916750-A plant growth promoter 杜伦大学 2023-10-20 CN disclosed
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US disclosed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO disclosed
CN-113372329-B Preparation method of fasudil hydrochloride compound 华东理工大学 2022-10-18 CN disclosed
CN-113372329-A Preparation method of fasudil hydrochloride compound 华东理工大学 2021-09-10 CN disclosed
US-8026217-B2 Compositions and methods for treating neural anoxia and spreading depression FLORIDA ATLANTIC UNIVERSITY (US) 2011-09-27 US disclosed
US-20090124558-A1 COMPOSITIONS AND METHODS FOR TREATING NEURAL ANOXIA AND SPREADING DEPRESSION FLORIDA ATLANTIC UNIVERSITY (US) 2009-05-14 US disclosed
WO-2009046322-A2 COMPOSITIONS AND METHODS FOR TREATING NEURAL ANOXIA AND SPREADING DEPRESSION FLORIDA ATLANTIC UNIVERSITY (US) 2009-04-09 WO disclosed
US-20030225527-A1 Crystals and structures of MST3 SGX PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003083060-A2 CRYSTALS AND STRUCTURES OF MST3 STRUCTURAL GENOMIX, INC. (US) 2003-10-09 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-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 PRKCG 1138/4885PRKCZ 1911/4885PRKCD 2328/4885
US-20240287027-A1 PREPARATION METHOD FOR COMPOUND FASUDIL HYDROCHLORIDE BAD, CASP5, REN PRKCG 848/4885PRKCZ 1711/4885PRKCD 1500/4885
US-20240130367-A1 PLANT GROWTH PROMOTERS MYCBP, GLB1, GUSB PRKCG 2697/4885PRKCZ 1351/4885PRKCD 2656/4885

“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.