SCHEMBL1886904

SCHEMBL1886904

Nc1c(-c2ccc(O)cc2)cncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.50
ALOX5AP P20292 6/20 0.50
CYP11B2 P19099 8/20 0.47
CYP11B1 P15538 7/20 0.47
MPL P40238 1/20 0.43
KIF11 P52732 1/20 0.42
APP P05067 1/20 0.42
RPS6KA3 P51812 1/20 0.41
USP7 Q93009 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
SCHEMBL1888623 0.84 FEN1 (0.46) FEN1ALOX5APMPLKIF11APP
SCHEMBL1658180 0.84 FEN1 (0.47) FEN1ALOX5APCYP11B2CYP11B1MPL
SCHEMBL1893696 0.81 FEN1 (0.47) FEN1ALOX5APMPLKIF11APP
SCHEMBL1887973 0.78 CYP11B2 (0.50) FEN1ALOX5APCYP11B2CYP11B1MPL
SCHEMBL1890443 0.77 FEN1 (0.44) FEN1ALOX5APCYP11B2CYP11B1MPL
SCHEMBL1891048 0.75 FEN1 (0.49) FEN1ALOX5APMPLKIF11APP
SCHEMBL1888242 0.75 FEN1 (0.49) FEN1ALOX5APMPLKIF11APP
SCHEMBL1893971 0.73 FEN1 (0.44) FEN1ALOX5APMPLKIF11APP
SCHEMBL23255324 0.69 CYP11B2 (0.50) FEN1ALOX5APCYP11B2CYP11B1MPL
SCHEMBL1886975 0.68 FEN1 (0.47) FEN1ALOX5APMPL

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
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US claimed
CN-101970406-A Novel triaryl derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2011-02-09 CN claimed
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US disclosed
CN-101970406-A Novel triaryl derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2011-02-09 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 (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 2582/4885CYP11B2 1545/4885

“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.