SCHEMBL3457618

SCHEMBL3457618

OC(CCCF)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
PNMT P11086 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
GLS O94925 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL236979 0.84 TAAR1 (0.44) SLC18A3SIGMAR1PNMTIDO1TDO2
SCHEMBL1599837 0.83 SLC18A3 (0.43) SLC18A3SIGMAR1PNMTIDO1TDO2
SCHEMBL3456591 0.82 IDO1 (0.38) IDO1TDO2CYP3A4CYP2D6SLC6A2
SCHEMBL4839441 0.82 ALDH1A1 (0.42) SLC18A3SIGMAR1CYP3A4CYP2D6SLC6A2
SCHEMBL3183753 0.81 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2CYP3A4
SCHEMBL6685361 0.80 SLC18A3 (0.43) SLC18A3SIGMAR1CYP3A4CYP2D6SLC6A2
SCHEMBL610207 0.79 PNMT (0.56) SLC18A3SIGMAR1PNMTIDO1TDO2
SCHEMBL30846747 0.79 PNMT (0.56) SLC18A3SIGMAR1PNMTIDO1TDO2
SCHEMBL1349340 0.79 PNMT (0.56) SLC18A3SIGMAR1PNMTIDO1TDO2
SCHEMBL7152113 0.79 PNMT (0.56) SLC18A3SIGMAR1PNMTIDO1TDO2

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 7 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-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 SLC18A3 1133/4885SIGMAR1 4385/4885PNMT 1053/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP SLC18A3 977/4885SIGMAR1 4387/4885PNMT 1107/4885

“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.