SCHEMBL17487246

SCHEMBL17487246

Cc1cccc(-c2ncccc2C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TRPV1 Q8NER1 2/20 0.40
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
NPY5R Q15761 1/20 0.39
TGFBR1 P36897 2/20 0.39
TGFBR2 P37173 1/20 0.39
GRM5 P41594 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
RIPK2 O43353 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL16276485 0.87 MAPK14 (0.41) MAPK14BCHEACHETRPV1SRC
SCHEMBL16132335 0.82 TDO2 (0.43) BCHEACHETRPV1SCN5ASCN9A
SCHEMBL16132341 0.80 ALDH1A1 (0.46) TRPV1CYP2A6
SCHEMBL10066076 0.79 CYP2A6 (0.59) MAPK14BCHEACHETRPV1NPY5R
SCHEMBL1370255 0.78 MAPK14 (0.53) MAPK14BCHEACHETGFBR1TGFBR2
SCHEMBL1741840 0.78 ALDH1A1 (0.44) TRPV1ABL1GAACYP2A6
SCHEMBL25491392 0.78 MAPK14 (0.41) MAPK14SRCABL1NPY5RGRM5
SCHEMBL30458217 0.76 MAPK14 (0.45) MAPK14BCHEACHENPY5RTGFBR1
SCHEMBL16132299 0.76 CYP2A6 (0.61) NPY5RCYP2A6
SCHEMBL15638862 0.76 RORB (0.46) MAPK14BCHEACHESCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MAPK14 1466/4885BCHE 3826/4885ACHE 4418/4885

“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.