SCHEMBL1885446

SCHEMBL1885446

COc1ccc(-c2nc(C)nc(-c3ccc(C(F)(F)F)cc3F)c2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHFR P00374 2/20 0.41
MPL P40238 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ACP1 P24666 1/20 0.40
ACHE P22303 1/20 0.40
ADORA2A P29274 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BACE1 P56817 1/20 0.39
NT5E P21589 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CRHR1 P34998 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
SCHEMBL1655716 0.92 ADORA2A (0.48) MEN1KMT2AALOX5APFEN1RAB9A
SCHEMBL2386528 0.86 L3MBTL1 (0.46) MEN1KMT2AALOX5APFEN1RAB9A
SCHEMBL1893971 0.86 FEN1 (0.44) MEN1KMT2AALOX5APFEN1MPL
SCHEMBL1885931 0.85 FEN1 (0.46) KMT2AALOX5APFEN1RAB9AL3MBTL1
SCHEMBL1894636 0.84 CTSA (0.45) ALOX5APFEN1MPLADORA2A
SCHEMBL1888269 0.81 MEN1 (0.43) MEN1KMT2AALOX5APFEN1RAB9A
SCHEMBL2386527 0.79 ADORA2A (0.43) KMT2AALOX5APFEN1RAB9AL3MBTL1
SCHEMBL2387952 0.79 L3MBTL1 (0.42) MEN1KMT2AALOX5APFEN1RAB9A
SCHEMBL1655315 0.78 FEN1 (0.44) KMT2AALOX5APFEN1RAB9AL3MBTL1
SCHEMBL2307176 0.78 MPL (0.41) ALOX5APFEN1RAB9AL3MBTL1MPL

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
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 MEN1 4727/4885KMT2A 1947/4885ALOX5AP 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.