SCHEMBL3456691

SCHEMBL3456691

O=CC(F)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
HSD11B1 P28845 1/20 0.37
MAPK1 P28482 1/20 0.35
HSD17B3 P37058 1/20 0.35
GBA1 P04062 1/20 0.35
PARP1 P09874 1/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL7755282 1.00 ALDH1A1 (0.45) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL3456122 1.00 ALDH1A1 (0.45) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL8858039 0.80 IDO1 (0.41) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL6692582 0.79 ALDH1A1 (0.48) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL2756356 0.79 ALDH1A1 (0.48) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL6204786 0.79 IDO1 (0.46) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL21495049 0.78 ALDH1A1 (0.47) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL540882 0.78 ALDH1A1 (0.47) ALDH1A1IDO1TDO2HSD11B1MAPK1
SCHEMBL29427058 0.76 IDO1 (0.47) ALDH1A1IDO1TDO2MAPK1GBA1
SCHEMBL248466 0.76 IDO1 (0.47) ALDH1A1IDO1TDO2MAPK1GBA1

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
EP-3687506-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2020-08-05 EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
EP-2961749-A1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2016-01-06 EP disclosed
WO-2014134341-A1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2014-09-04 WO disclosed
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 ALDH1A1 1913/4885IDO1 4153/4885TDO2 4513/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP ALDH1A1 1940/4885IDO1 4396/4885TDO2 4607/4885

“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.