SCHEMBL7756004

SCHEMBL7756004

C=CC[C@@H](F)c1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGM2 P21980 1/20 0.33
GBA1 P04062 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.32
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL7752784 0.83 IDO1 (0.36) IDO1TDO2ALDH1A1TGM2GBA1
SCHEMBL3455734 0.83 IDO1 (0.36) IDO1TDO2ALDH1A1TGM2GBA1
SCHEMBL3455735 0.83 IDO1 (0.36) IDO1TDO2ALDH1A1TGM2GBA1
SCHEMBL2184396 0.81 IDO1 (0.40) IDO1TDO2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL2794393 0.79 PARP1 (0.40) IDO1TDO2CYP2C19ALDH1A1GBA1
SCHEMBL1419878 0.79 IDO1 (0.41) IDO1TDO2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL2797594 0.79 PARP1 (0.40) IDO1TDO2CYP2C19ALDH1A1GBA1
SCHEMBL2794399 0.79 PARP1 (0.40) IDO1TDO2CYP2C19ALDH1A1GBA1
SCHEMBL933432 0.79 SLC18A3 (0.41) IDO1TDO2CYP2C19TGM2
SCHEMBL28204759 0.77 CYP2C19 (0.52) CYP2C19ALDH1A1SMN1; SMN2HTR2A

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 9 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
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US 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
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 US 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
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 4513/4885CYP2C19 4449/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP IDO1 4396/4885TDO2 4607/4885CYP2C19 4561/4885

“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.