SCHEMBL5541428

SCHEMBL5541428

O=[C]C/C=C/c1cc(F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.50
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
CHEK1 O14757 1/20 0.35
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ERN1 O75460 1/20 0.32
BACE1 P56817 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
SCHEMBL5541434 1.00 NFE2L2 (0.50) NFE2L2CES2CES1CHEK1CA3
SCHEMBL2095515 0.86 NFE2L2 (0.50) NFE2L2
SCHEMBL2095517 0.86 NFE2L2 (0.50) NFE2L2
SCHEMBL2092350 0.78 NFE2L2 (0.56) NFE2L2
SCHEMBL2092348 0.78 NFE2L2 (0.56) NFE2L2
SCHEMBL5541438 0.78 NFE2L2 (0.53) NFE2L2CES2CES1CHEK1CA3
SCHEMBL704659 0.76 NFE2L2 (0.55) NFE2L2CES2CES1CHEK1CA3
SCHEMBL2323580 0.76 NFE2L2 (0.55) NFE2L2CES2CES1CHEK1CA3
SCHEMBL704660 0.76 NFE2L2 (0.55) NFE2L2CES2CES1CHEK1CA3
SCHEMBL705546 0.76 NFE2L2 (0.55) NFE2L2CES2CES1CHEK1CA3

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 NFE2L2 846/4885CES2 3025/4885CES1 2795/4885

“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.