SCHEMBL1886977

SCHEMBL1886977

Nc1c(Cl)ncnc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.46
FEN1 P39748 13/20 0.44
ALOX5AP P20292 13/20 0.44
HSD11B1 P28845 1/20 0.40
IDO1 P14902 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL1886975 0.80 FEN1 (0.47) MPLFEN1ALOX5APIDO1
SCHEMBL1888242 0.79 FEN1 (0.49) MPLFEN1ALOX5AP
SCHEMBL1891905 0.78 HSD11B1 (0.50) MPLFEN1ALOX5APHSD11B1CYP11B1
SCHEMBL1885931 0.76 FEN1 (0.46) MPLFEN1ALOX5AP
SCHEMBL27805538 0.76 FEN1 (0.44) MPLFEN1ALOX5AP
SCHEMBL1884677 0.75 ALOX5AP (0.47) MPLFEN1ALOX5AP
SCHEMBL1894022 0.75 RECQL (0.47) MPLFEN1ALOX5AP
SCHEMBL1656041 0.75 ALOX5AP (0.49) FEN1ALOX5AP
SCHEMBL2390339 0.74 ALOX5AP (0.40) MPLFEN1ALOX5APIDO1
SCHEMBL2308521 0.74 L3MBTL1 (0.47) MPLFEN1ALOX5AP

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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US disclosed
EP-2262767-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-12-22 EP disclosed
WO-2009112461-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA3, CHRM3 MPL 4052/4885FEN1 4851/4885ALOX5AP 2582/4885

“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.