SCHEMBL3456319

SCHEMBL3456319

OC[C@H](F)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CTSA P10619 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GBA1 P04062 1/20 0.35
C1S P09871 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
SCHEMBL2141555 1.00 IDO1 (0.41) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL21437500 0.80 IDO1 (0.44) IDO1TDO2ALDH1A1MAPK1GBA1
SCHEMBL5858340 0.79 IDO1 (0.43) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL7605334 0.79 IDO1 (0.47) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL25270476 0.78 HDAC4 (0.46) IDO1TDO2SLC6A2SLC6A4
SCHEMBL8257633 0.78 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL17660051 0.78 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL20840201 0.78 IDO1 (0.42) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL16962177 0.78 IDO1 (0.46) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL30153478 0.78 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256107-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) Wyeth LLC (US) 2010-12-01 EP disclosed
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US disclosed
CN-101273018-A Amino-5- [4- (difluoromethoxy) phenyl] -5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) WYETH CORP (US) 2008-09-24 CN 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
EP-1928841-A1 AMINO-5- Ý4- (DIFLUOROMETHOXY) PHENYL¨-5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) Wyeth a Corporation of the State of Delaware (US) 2008-06-11 EP disclosed
WO-2007038271-A9 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH CORP (US) 2008-05-08 WO disclosed
WO-2007038271-A1 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH (US) 2007-04-05 WO 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 IDO1 4153/4885TDO2 4513/4885SLC6A2 3279/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP IDO1 4396/4885TDO2 4607/4885SLC6A2 3246/4885

“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.