SCHEMBL4309762

SCHEMBL4309762

Cc1cc(C#Cc2ccc(F)c(OC(F)F)c2)ccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.38
REN P00797 5/20 0.38
CTSD P07339 5/20 0.38
BACE2 Q9Y5Z0 5/20 0.38
CYP3A4 P08684 3/20 0.38
GRM5 P41594 2/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 2/20 0.34
HAO1 Q9UJM8 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
RXRA P19793 2/20 0.33
KCNH2 Q12809 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL4310851 0.94 BACE1 (0.36) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4312620 0.90 BACE1 (0.37) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4309613 0.89 BACE1 (0.40) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4318349 0.88 BACE1 (0.51) BACE1RENCTSDBACE2CYP3A4
SCHEMBL23190454 0.87 BACE1 (0.35) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4313084 0.87 ALDH1A1 (0.36) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4311923 0.87 BACE1 (0.39) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4309949 0.87 BACE1 (0.39) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4306001 0.86 GRM5 (0.37) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4304483 0.86 BACE1 (0.40) BACE1RENCTSDBACE2CYP3A4

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
EP-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 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-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP BACE1 1/4885REN 2367/4885CTSD 88/4885

“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.