SCHEMBL2277159

SCHEMBL2277159

C=C(c1ccc(O)cc1)c1ccc(F)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
GFER P55789 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
CTSL P07711 1/20 0.35
ALOX15 P16050 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PGR P06401 1/20 0.32
HSD17B14 Q9BPX1 1/20 0.32
IDO1 P14902 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
TRPA1 O75762 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
SCHEMBL2284069 0.85 IDO1 (0.43) MAPTHTTGFERHSD17B10GPR55
SCHEMBL23901100 0.81 CTSL (0.35) MAPTHTTGFERHSD17B10GPR55
SCHEMBL13263896 0.78 CES2 (0.53) MAPTHTTMAOBNPC1RAB9A
SCHEMBL29427145 0.75
SCHEMBL189322 0.75
SCHEMBL380521 0.75 IDO1 (0.37) CTSLMAOBNPC1RAB9APGR
SCHEMBL29891536 0.75 IDO1 (0.37) CTSLMAOBNPC1RAB9APGR
SCHEMBL10942166 0.74 MAPT (1.00) MAPTHTTGFERHSD17B10GPR55
SCHEMBL824903 0.74 MAPT (1.00) MAPTHTTGFERHSD17B10GPR55
SCHEMBL13461740 0.73 MAPT (0.75) MAPTHTTGFERHSD17B10GPR55

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
CN-101952260-B 4, 5-dihydro-oxazol-2-yl amine derivatives HOFFMANN LA ROCHE 2013-02-13 CN disclosed
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
CN-101952260-A 4, 5-dihydro-oxazol-2-ylamine derivs HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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 (1 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 MAPT 36/4885HTT 914/4885GFER 3690/4885

“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.