SCHEMBL4309772

SCHEMBL4309772

CCc1cc(C(=O)C(=O)c2cccc(C#CCO)c2)ccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.37
MAPK14 Q16539 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL4309868 0.92 BACE1 (0.38) ACACBKMT2AMEN1TSHRPDE4A
SCHEMBL4308508 0.88 MAPK14 (0.37) ACACBMAPK14KMT2AMEN1TSHR
SCHEMBL2798054 0.82 MRGPRX4 (0.46) ACACBMAPK14KMT2AMEN1TSHR
SCHEMBL4315708 0.81 BACE1 (0.38) ACACBKMT2AMEN1TSHRPDE4A
SCHEMBL4306878 0.81 BACE1 (0.38) ACACBKMT2AMEN1TSHRPDE4A
SCHEMBL4308482 0.80 L3MBTL1 (0.42) KMT2AMEN1TSHRPDE4APDE4B
SCHEMBL4306019 0.77 PDE4D (0.37) KMT2AMEN1TSHRPDE4APDE4B
SCHEMBL2794777 0.75 BACE1 (0.47) ACACBTSHRMAPTHTTMRGPRX4
SCHEMBL4306377 0.75 PDE4D (0.38) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL2795536 0.74 BACE1 (0.50) ACACBKMT2AMEN1RAB9ANPC1

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 640/4885MAPK14 2244/4885KMT2A 2465/4885

“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.