SCHEMBL4304391

SCHEMBL4304391

CC(C)c1cc(C#Cc2ccccc2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
GRM5 P41594 3/20 0.37
APP P05067 1/20 0.36
HAO1 Q9UJM8 2/20 0.36
HTR2A P28223 1/20 0.36
FFAR1 O14842 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
GRM4 Q14833 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.33
HNF4A P41235 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ASIC3 Q9UHC3 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
SCHEMBL4312471 0.81 BACE1 (0.40) ACACBGRM5APPHAO1FFAR1
SCHEMBL4309746 0.81 LMNA (0.32) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL4309759 0.80 ACACB (0.31) ACACB
SCHEMBL4312387 0.80 MEN1 (0.32)
SCHEMBL16772773 0.80 AR (0.36) PDE4B
SCHEMBL18488464 0.76 APP (0.43) GRM5APPHAO1HTR2AFFAR1
SCHEMBL27779760 0.75 MEN1 (0.36) ACACBGRM5APPHTR2AMAPT
SCHEMBL4311186 0.74 ALDH1A1 (0.40) MAPT
SCHEMBL4306233 0.74 FFAR1 (0.39) ACACBAPPHAO1FFAR1MAPT
SCHEMBL4309349 0.73 ACACB (0.37) ACACBHAO1FFAR1PDGFRBPDGFRA

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 ACACB 640/4885GRM5 237/4885APP 3/4885

“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.