Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4598739

COc1c(C)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C.[Cl-]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
SNCA P37840 2/20 0.41
TRAP1 Q12931 2/20 0.40
APP P05067 1/20 0.36
HIF1A Q16665 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SCN4A P35499 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHFR P00374 1/20 0.33
CTSA P10619 1/20 0.33
G6PD P11413 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
Hydrochloric Acid SCHEMBL4889037 0.83 PTGS2 (0.47) SNCAALDH1A1G6PDKDM4EMAPK1
Hydrochloric Acid SCHEMBL10750243 0.81 TRAP1 (0.39) SNCATRAP1HIF1APPARGPPARA
Hydrochloric Acid SCHEMBL3536559 0.81 KDM1A (0.45) SNCATRAP1ALDH1A1SMN1; SMN2
Bromide SCHEMBL723263 0.80 PTGS2 (0.47) SNCAALDH1A1G6PDKDM4EMAPK1
Hydrochloric Acid SCHEMBL10754696 0.80 TRAP1 (0.41) SNCATRAP1HIF1APPARGPPARA
Hydrochloric Acid SCHEMBL5973630 0.79 TSHR (0.46) SNCAALDH1A1TSHRMAPK1
Phosphine SCHEMBL28014269 0.79 PTGS2 (0.46) SNCAALDH1A1G6PDKDM4EMAPK1
Hydrochloric Acid SCHEMBL5972958 0.77 SNCA (0.49) SNCATRAP1APPHIF1ACYP1A2
Hydrochloric Acid SCHEMBL3638045 0.77 SNCA (0.47) SNCAAPPHIF1A
Bromide SCHEMBL1164751 0.76 TSHR (0.46) SNCAALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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 (1 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP SNCA 407/4885TRAP1 1799/4885APP 3/4885

“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.