SCHEMBL5546282

SCHEMBL5546282

O=[C]OCC=Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.53
PTGS1 P23219 3/20 0.47
PTGS2 P35354 1/20 0.47
FBP1 P09467 1/20 0.45
RELA Q04206 1/20 0.44
NQO2 P16083 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
NPC1 O15118 1/20 0.41
CHRM5 P08912 1/20 0.41
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5546280 1.00 NFE2L2 (0.53) NFE2L2PTGS1PTGS2FBP1RELA
SCHEMBL5544487 0.83 BACE1 (0.36) PTGS1PTGS2
SCHEMBL5544484 0.83 BACE1 (0.36) PTGS1PTGS2
SCHEMBL28446130 0.81 NFE2L2 (0.63) NFE2L2PTGS1PTGS2FBP1RELA
SCHEMBL5536692 0.81 CYP1A2 (0.47) NFE2L2FBP1RELACYP1A2CYP2D6
SCHEMBL5545874 0.81 RELA (0.45) PTGS1PTGS2FBP1RELANPC1
SCHEMBL5543977 0.81 HSD17B3 (0.47) CYP2D6PKM
SCHEMBL5545876 0.81 RELA (0.45) PTGS1PTGS2FBP1RELANPC1
SCHEMBL5536691 0.81 CYP1A2 (0.47) NFE2L2FBP1RELACYP1A2CYP2D6
SCHEMBL5543980 0.81 HSD17B3 (0.47) CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NFE2L2 846/4885PTGS1 3838/4885PTGS2 3418/4885

“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.