SCHEMBL5545103

SCHEMBL5545103

O=[C]OCC=Cc1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.43
PTGS2 P35354 1/20 0.35
PLA2G7 Q13093 2/20 0.35
PABPC1 P11940 1/20 0.35
RAB9A P51151 1/20 0.35
EIF4H Q15056 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TUBB1 Q9H4B7 3/20 0.33
PIM1 P11309 1/20 0.32
TRPA1 O75762 1/20 0.32
BACE1 P56817 2/20 0.31
VCP P55072 1/20 0.31

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
SCHEMBL5545097 1.00 NFE2L2 (0.43) NFE2L2PTGS2PLA2G7PABPC1RAB9A
SCHEMBL5536977 0.86 TUBB1 (0.38) NFE2L2PTGS2TUBB1BACE1
SCHEMBL5536979 0.86 TUBB1 (0.38) NFE2L2PTGS2TUBB1BACE1
SCHEMBL5544219 0.86 KCNA3 (0.37) NFE2L2TUBB1
SCHEMBL5544211 0.86 KCNA3 (0.37) NFE2L2TUBB1
SCHEMBL5541069 0.81 HSD11B1 (0.41) NFE2L2IDO1
SCHEMBL5541067 0.81 HSD11B1 (0.41) NFE2L2IDO1
SCHEMBL5546280 0.79 NFE2L2 (0.53) NFE2L2PTGS2RAB9ACYP1A2
SCHEMBL5546282 0.79 NFE2L2 (0.53) NFE2L2PTGS2RAB9ACYP1A2
SCHEMBL5544487 0.77 BACE1 (0.36) PTGS2BACE1IDO1

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 6 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-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 NFE2L2 846/4885PTGS2 3418/4885PLA2G7 4647/4885

“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.