SCHEMBL7754880

SCHEMBL7754880

N#CCCCc1cccc(C#Cc2ccc(OC(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
ACACB O00763 3/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FFAR1 O14842 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL2794353 0.96 BACE1 (0.46) BACE1ACACBPPARGPPARAFFAR1
SCHEMBL13016927 0.86 ACACB (0.44) BACE1ACACBPPARGPPARAFFAR1
SCHEMBL7758227 0.86 ACACB (0.44) BACE1ACACBPPARGPPARAFFAR1
SCHEMBL3456499 0.86 BACE1 (0.47) BACE1ACACBPPARGPPARAFFAR1
SCHEMBL13016495 0.85 BACE1 (0.48) BACE1ACACBPPARGPPARAMRGPRX4
SCHEMBL2791889 0.84 BACE1 (0.48) BACE1ACACBPPARGPPARAFFAR1
SCHEMBL3455724 0.83 ACACB (0.48) BACE1ACACBPPARGPPARAFFAR1
SCHEMBL7757972 0.82 ACACB (0.42) BACE1ACACBPPARGPPARAFFAR1
SCHEMBL8367054 0.82 BACE1 (0.50) BACE1PPARGPPARAMEN1KMT2A
SCHEMBL3456401 0.80 ACACB (0.46) BACE1ACACBPPARGPPARAFFAR1

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
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US disclosed
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 US disclosed
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH (US) 2007-03-29 US 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 (2 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-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP BACE1 1/4885ACACB 688/4885PPARG 3463/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP BACE1 1/4885ACACB 594/4885PPARG 3304/4885

“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.