SCHEMBL3538604

SCHEMBL3538604

COc1ccc(C(=O)C(=O)c2ccc(C#N)c(-c3cccnc3)c2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.58
BACE1 P56817 3/20 0.58
BACE2 Q9Y5Z0 3/20 0.58
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
KLK3 P07288 3/20 0.45
SLC2A1 P11166 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN9A Q15858 1/20 0.43
HPSE Q9Y251 1/20 0.42
F12 P00748 1/20 0.42

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
SCHEMBL13403265 0.81 MKNK1 (0.49) CTSDBACE1BACE2MKNK1MKNK2
SCHEMBL2127568 0.81 CYP11B1 (0.60) CTSDBACE1BACE2MKNK1MKNK2
SCHEMBL8273373 0.74 ALDH1A1 (0.45) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL3534758 0.74 ALDH1A1 (0.49) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL9215557 0.74 CTSD (0.55) CTSDBACE1BACE2MKNK1MKNK2
SCHEMBL15832016 0.74 CYP2A6 (0.47) CTSDBACE1BACE2CYP11B2KDM4E
SCHEMBL3536732 0.74 BACE1 (1.00) CTSDBACE1BACE2
SCHEMBL3535173 0.72 AURKA (0.47) KDM4ENPC1NPSR1LMNAMAPT
SCHEMBL16111924 0.71 MKNK1 (0.56) MKNK1MKNK2KLK3CYP11B1CYP11B2
SCHEMBL1911847 0.71 NPC1 (0.65) CTSDBACE1BACE2MKNK1MKNK2

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
EP-1756087-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE Wyeth (US) 2007-02-28 EP disclosed
WO-2006009653-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2006-01-26 WO 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 CTSD 158/4885BACE1 1/4885BACE2 2/4885
US-20050282825-A1 Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase BACE1, BACE2, APP CTSD 158/4885BACE1 1/4885BACE2 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.