SCHEMBL5537463

SCHEMBL5537463

COc1ccc(/C=C/CO[C]=O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.53
CYP1A1 P04798 5/20 0.50
CYP1B1 Q16678 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL5537469 1.00 NFE2L2 (0.53) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL5540216 0.87 KMT2A (0.40) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL5540220 0.87 KMT2A (0.40) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL2096314 0.82 NFE2L2 (0.57) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL2096311 0.82 NFE2L2 (0.57) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL1682628 0.82 CYP1A1 (0.58) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL2089102 0.79 CYP1A1 (0.54) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL5545961 0.79 GSK3B (0.49) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL2089100 0.79 CYP1A1 (0.54) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL5545965 0.79 GSK3B (0.49) NFE2L2CYP1A1CYP1B1ALDH1A1CYP1A2

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 846/4885CYP1A1 1394/4885CYP1B1 1052/4885

“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.