SCHEMBL3534598

SCHEMBL3534598

O=C(C(=O)c1ccc(F)c(Br)c1)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PDE2A O00408 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.37
NOTUM Q6P988 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KCNN4 O15554 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL3536001 0.84 CES2 (0.44) EPHX2CES2CES1RAB9AABL1
SCHEMBL30147507 0.78 RAB9A (0.64) EPHX2PDE2ALMNAMAPK1HTT
SCHEMBL12490198 0.78 RAB9A (0.64) EPHX2PDE2ALMNAMAPK1HTT
SCHEMBL24956819 0.76 EPHX2 (0.55) EPHX2CES2CES1PDE2ALMNA
SCHEMBL2690674 0.76 EPHX2 (0.55) EPHX2PDE2ALMNAMAPK1HTT
SCHEMBL16210218 0.76 EPHX2 (0.59) EPHX2PDE2ALMNAMAPK1HTT
SCHEMBL16210170 0.76 EPHX2 (0.51) EPHX2PDE2ALMNAMAPK1HTT
SCHEMBL1918950 0.73 RXRA (0.47) EPHX2LMNAMAPK1HTTRAB9A
SCHEMBL10976235 0.73 ALDH1A1 (0.46) EPHX2PDE2ALMNARAB9AALDH1A1
SCHEMBL29784280 0.73 RXRA (0.47) EPHX2LMNAMAPK1HTTRAB9A

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 14 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
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
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-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
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 EPHX2 2885/4885CES2 3023/4885CES1 913/4885
US-20050282825-A1 Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase BACE1, BACE2, APP EPHX2 2885/4885CES2 3023/4885CES1 913/4885

“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.