SCHEMBL2014355

SCHEMBL2014355

COc1ccc(-c2ccc(C=O)cc2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP2A6 P11509 1/20 0.56
FASN P49327 1/20 0.45
ERN1 O75460 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PTGER4 P35408 1/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
AHR P35869 1/20 0.40
GSTP1 P09211 1/20 0.40
DRD1 P21728 1/20 0.40
PRKAB2 O43741 1/20 0.40

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
SCHEMBL4898021 0.90 ALDH1A1 (0.56) ALDH1A1CYP2A6ERN1SMN1; SMN2KDM4E
SCHEMBL31265241 0.87 ALDH1A1 (0.56) ALDH1A1CYP2A6ERN1SMN1; SMN2KDM4E
SCHEMBL17508271 0.82 ALDH1A1 (0.58) ALDH1A1CYP2A6ERN1SMN1; SMN2KDM4E
SCHEMBL31374896 0.82 ALDH1A1 (0.58) ALDH1A1CYP2A6ERN1SMN1; SMN2KDM4E
SCHEMBL12740233 0.82 ERN1 (0.58) ALDH1A1CYP2A6ERN1SMN1; SMN2CYP1A2
SCHEMBL17508246 0.81 ERN1 (0.57) ALDH1A1CYP2A6ERN1SMN1; SMN2KDM4E
SCHEMBL3925842 0.81 ALDH1A1 (0.56) ALDH1A1CYP2A6SMN1; SMN2PTGER4AHR
SCHEMBL26628327 0.79 ALDH1A1 (0.58) ALDH1A1CYP2A6ERN1KDM4ETRIM24
SCHEMBL28303202 0.78 ESR2 (0.57) CYP2A6FASNSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9732916 0.78 CYP2A6 (0.50) ALDH1A1CYP2A6SMN1; SMN2KDM4ECYP1A2

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
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 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 (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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY ALDH1A1 187/4885CYP2A6 456/4885FASN 1/4885

“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.