SCHEMBL1886802

SCHEMBL1886802

Nc1c(Br)cc(F)cc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.46
FEN1 P39748 9/20 0.41
ALOX5AP P20292 8/20 0.41
IDO1 P14902 1/20 0.40
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 3/20 0.38
APP P05067 1/20 0.35
HSD11B1 P28845 1/20 0.35
PDE2A O00408 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL1887973 0.79 CYP11B2 (0.50) MPLFEN1ALOX5APCYP11B2CYP11B1
SCHEMBL1888623 0.77 FEN1 (0.46) MPLFEN1ALOX5APIDO1APP
SCHEMBL1892350 0.76 KIF11 (0.52) FEN1ALOX5APKIF11
SCHEMBL1885330 0.74 L3MBTL1 (0.46) MPLFEN1ALOX5APCYP11B2CYP11B1
SCHEMBL28315996 0.70 HSD11B1 (0.50) MPLFEN1ALOX5APIDO1CYP11B2
SCHEMBL1892790 0.70 AHR (0.42) MPLFEN1ALOX5APKIF11
SCHEMBL29778868 0.70 CA1 (0.47) MPLIDO1PDE2A
SCHEMBL21603365 0.70 CA1 (0.47) MPLIDO1PDE2A
SCHEMBL607667 0.69 PDE2A (0.46) MPLIDO1PDE2A
SCHEMBL29453079 0.69 PDE2A (0.46) MPLIDO1PDE2A

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-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 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.