SCHEMBL5539796

SCHEMBL5539796

O=[C]OCC/C=C/c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
AHR P35869 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
FBP1 P09467 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NFE2L2 Q16236 2/20 0.36
KCNH2 Q12809 2/20 0.36
PTGS2 P35354 1/20 0.36
PPARA Q07869 1/20 0.35
PPARG P37231 1/20 0.34
DRD2 P14416 2/20 0.34
MAOB P27338 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
SCHEMBL5539802 1.00 CYP1A2 (0.39) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL5540029 0.90 KCNH2 (0.37) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL5540023 0.90 KCNH2 (0.37) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL5538360 0.89 KCNH2 (0.36) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL5538363 0.89 KCNH2 (0.36) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL5544293 0.82 CYP1A2 (0.41) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL5539318 0.82 IDO1 (0.44) PPARA
SCHEMBL5544290 0.82 CYP1A2 (0.41) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL5539321 0.82 IDO1 (0.44) PPARA
SCHEMBL8956258 0.80 AHR (0.43) CYP1A2AHRGRIK1GRIK2GRIK3

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP 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 CYP1A2 659/4885AHR 1471/4885GRIK1 591/4885

“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.