SCHEMBL3534758

SCHEMBL3534758

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
MAPT P10636 1/20 0.40
F11 P03951 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL8273373 0.83 ALDH1A1 (0.45) ALDH1A1HPGDALOX15MEN1RAB9A
SCHEMBL13082597 0.77 TSHR (0.63) ALDH1A1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL13403263 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL29430721 0.76 NOTUM (0.54) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL2143380 0.76 NOTUM (0.54) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL3538145 0.75 RAB9A (0.50) ALDH1A1CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL3538604 0.74 CTSD (0.58) ALDH1A1MEN1RAB9AKMT2AKDM4E
SCHEMBL842203 0.74 CYP11B1 (0.42) ALDH1A1HPGDMEN1RAB9AKMT2A
SCHEMBL13263912 0.74 ALDH1A1 (0.52) ALDH1A1CYP1A2HPGDCYP2C19MEN1
SCHEMBL2421850 0.72 CA12 (0.51) ALDH1A1CYP1A2HPGDMEN1RAB9A

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 ALDH1A1 2182/4885CYP1A2 2517/4885CYP2D6 3746/4885
US-20050282825-A1 Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase BACE1, BACE2, APP ALDH1A1 2182/4885CYP1A2 2517/4885CYP2D6 3746/4885

“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.