Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28901375

Cl.Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

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 16)

geneUniProtsupporting neighboursconfidence
GLA known ✓ P06280 1/20 0.36
GAA known ✓ P10253 1/20 0.36
FFAR4 Q5NUL3 10/20 0.40
FFAR1 O14842 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.36
AR P10275 2/20 0.36
PTPN5 P54829 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL29395047 0.98 FFAR4 (0.41) FFAR4FFAR1SMN1; SMN2GLAPOLB
SCHEMBL1766291 0.98 FFAR4 (0.41) FFAR4FFAR1SMN1; SMN2GLAPOLB
SCHEMBL18726208 0.89 FFAR4 (0.38) FFAR4FFAR1SMN1; SMN2GLAPOLB
SCHEMBL19240441 0.89 FFAR4 (0.38) FFAR4FFAR1SMN1; SMN2GLAPOLB
SCHEMBL1766899 0.89 FFAR4 (0.38) FFAR4FFAR1SMN1; SMN2GLAPOLB
SCHEMBL24217566 0.88 SMN1; SMN2 (0.40) FFAR4FFAR1SMN1; SMN2GLAPOLB
SCHEMBL1766643 0.84 SMN1; SMN2 (0.38) FFAR4FFAR1SMN1; SMN2ALDH1A1PKM
SCHEMBL185847 0.83 CES2 (0.50) FFAR4FFAR1GLAPOLBGAA
SCHEMBL14934140 0.82 SMN1; SMN2 (0.41) FFAR4FFAR1SMN1; SMN2GAATSHR
SCHEMBL1766545 0.82 FFAR4 (0.41) FFAR4FFAR1SMN1; SMN2GLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073300-B 4- (perfluoropropane-2-yl) -2-trifluoromethyl aniline and preparation method and application thereof 江西天宇化工有限公司 2024-04-05 CN disclosed
US-11691943-B2 Preparation method of 4-(heptafluoro-2-propyl)-2-trifluoromethylaniline and application thereof JIANGXI TIANYU CHEMICAL CO., LTD. 2023-07-04 US disclosed
US-20230062431-A1 PREPARATION METHOD OF 4-(HEPTAFLUORO-2-PROPYL)-2-TRIFLUOROMETHYLANILINE AND APPLICATION THEREOF JIANGXI TIANYU CHEMICAL CO., LTD. (CN) 2023-03-02 US disclosed
CN-115073300-A 4- (perfluoropropane-2-yl) -2-trifluoromethylaniline and preparation method and application thereof 江西天宇化工有限公司 2022-09-20 CN 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 (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-11691943-B2 Preparation method of 4-(heptafluoro-2-propyl)-2-trifluoromethylaniline and application thereof PFAS, PAH, PF4 GLA 4475/4885GAA 3363/4885FFAR4 663/4885
US-20230062431-A1 PREPARATION METHOD OF 4-(HEPTAFLUORO-2-PROPYL)-2-TRIFLUOROMETHYLANILINE AND APPLICATION THEREOF PFAS, PAH, PF4 GLA 4475/4885GAA 3363/4885FFAR4 663/4885

“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.