SCHEMBL4313084

SCHEMBL4313084

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
BACE1 P56817 10/20 0.35
REN P00797 5/20 0.35
CTSD P07339 5/20 0.35
BACE2 Q9Y5Z0 5/20 0.35
GRM5 P41594 2/20 0.35
CYP3A4 P08684 3/20 0.34
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL4309762 0.87 BACE1 (0.38) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL4312620 0.86 BACE1 (0.37) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL23190454 0.83 BACE1 (0.35) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL4309453 0.83 MAPT (0.41) ALDH1A1MEN1MAPTKMT2ACA3
SCHEMBL4306001 0.82 GRM5 (0.37) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL4310851 0.82 BACE1 (0.36) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL27779760 0.82 MEN1 (0.36) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL13932862 0.82 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL2795872 0.81 BACE1 (0.38) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL27801351 0.80 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2ABACE1

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 ALDH1A1 2270/4885MEN1 3838/4885MAPT 17/4885

“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.