SCHEMBL1886975

SCHEMBL1886975

Nc1c(-c2ccc(O)cc2O)ncnc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.47
ALOX5AP P20292 10/20 0.47
MPL P40238 1/20 0.43
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
MEN1 O00255 1/20 0.39
NR2F2 P24468 1/20 0.39
IDO1 P14902 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GFER P55789 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL1888242 0.88 FEN1 (0.49) FEN1ALOX5APMPL
SCHEMBL1894022 0.87 RECQL (0.47) FEN1ALOX5APMPLKMT2AMAPT
SCHEMBL2388395 0.81 EGFR (0.44) FEN1ALOX5APMPL
SCHEMBL2390339 0.81 ALOX5AP (0.40) FEN1ALOX5APMPLMAPTIDO1
SCHEMBL1886977 0.80 MPL (0.46) FEN1ALOX5APMPLIDO1
SCHEMBL1656041 0.77 ALOX5AP (0.49) FEN1ALOX5AP
SCHEMBL1891048 0.75 FEN1 (0.49) FEN1ALOX5APMPL
SCHEMBL27805538 0.75 FEN1 (0.44) FEN1ALOX5APMPL
SCHEMBL1885931 0.75 FEN1 (0.46) FEN1ALOX5APMPLKMT2A
SCHEMBL1884677 0.74 ALOX5AP (0.47) FEN1ALOX5APMPLMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US claimed
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA3, CHRM3 FEN1 4851/4885ALOX5AP 2582/4885MPL 4052/4885

“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.