SCHEMBL3533945

SCHEMBL3533945

NC1=NC(c2ccc(OC(F)(F)F)cc2)(c2ccc(F)c(-c3cncnc3)c2)C(=O)N1C(F)F

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.77
CTSD P07339 15/20 0.77
BACE2 Q9Y5Z0 15/20 0.77
REN P00797 2/20 0.56
ABL1 P00519 1/20 0.45

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
SCHEMBL3536710 0.87 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL3534212 0.87 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL3532433 0.87 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL13437591 0.86 BACE1 (0.59) BACE1CTSDBACE2REN
SCHEMBL3535491 0.80 BACE1 (0.69) BACE1CTSDBACE2RENABL1
SCHEMBL3838579 0.78 BACE1 (0.71) BACE1CTSDBACE2RENABL1
SCHEMBL3535575 0.77 BACE1 (0.81) BACE1CTSDBACE2REN
SCHEMBL4065513 0.77 BACE1 (0.77) BACE1CTSDBACE2REN
SCHEMBL8201098 0.76 BACE1 (0.79) BACE1CTSDBACE2REN
SCHEMBL3533234 0.74 BACE1 (0.77) BACE1CTSDBACE2RENABL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700602-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH LLC (US) 2010-04-20 US disclosed
US-7700602-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH LLC (US) 2010-04-20 US disclosed
EP-1756087-B1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH CORP (US) 2009-10-07 EP disclosed
EP-1756087-B1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH CORP (US) 2009-10-07 EP disclosed
US-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-04-09 US disclosed
US-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-04-09 US disclosed
US-7482349-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH (US) 2009-01-27 US disclosed
US-7482349-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH (US) 2009-01-27 US disclosed
US-7482349-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH (US) 2009-01-27 US disclosed
CN-1968945-A Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase WYETH CORP (US) 2007-05-23 CN disclosed
WO-2006009653-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2006-01-26 WO disclosed
US-20050282825-A1 Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase WYETH (US) 2005-12-22 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-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP BACE1 1/4885CTSD 158/4885BACE2 2/4885
US-20050282825-A1 Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase BACE1, BACE2, APP BACE1 1/4885CTSD 158/4885BACE2 2/4885

“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.