SCHEMBL4304458

SCHEMBL4304458

CCc1cc(C#Cc2ccc(F)c(OCC(F)F)c2)ccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
CTSD P07339 3/20 0.42
BACE1 P56817 3/20 0.42
BACE2 Q9Y5Z0 3/20 0.42
GRIN2B Q13224 3/20 0.36
KCNH2 Q12809 2/20 0.36
ACACB O00763 5/20 0.36
GRM4 Q14833 1/20 0.35
HAO1 Q9UJM8 1/20 0.33
LTB4R Q15722 1/20 0.32
CYP3A4 P08684 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL4313836 0.89 HTR2A (0.38) RENCTSDBACE1BACE2GRIN2B
SCHEMBL4304053 0.87 REN (0.38) RENCTSDBACE1BACE2GRM4
SCHEMBL4308877 0.86 BACE1 (0.41) RENCTSDBACE1BACE2GRIN2B
SCHEMBL4318349 0.85 BACE1 (0.51) RENCTSDBACE1BACE2GRIN2B
SCHEMBL4306215 0.81 L3MBTL1 (0.35) RENCTSDBACE1BACE2GRIN2B
SCHEMBL4312454 0.80 REN (0.42) RENCTSDBACE1BACE2GRIN2B
SCHEMBL4309737 0.79 REN (0.37) RENCTSDBACE1BACE2GRIN2B
SCHEMBL27801223 0.77 GRIN2B (0.33) RENCTSDBACE1BACE2GRIN2B
SCHEMBL4309613 0.76 BACE1 (0.40) RENCTSDBACE1BACE2HAO1
SCHEMBL4304483 0.76 BACE1 (0.40) RENCTSDBACE1BACE2GRIN2B

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 REN 2367/4885CTSD 88/4885BACE1 1/4885

“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.