SCHEMBL5543354

SCHEMBL5543354

O=COCCCCCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.61
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
BCHE P06276 6/20 0.54
MAOB P27338 4/20 0.54
MAOA P21397 1/20 0.54
NR4A2 P43354 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
CYP2D6 P10635 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL5542756 1.00 MGLL (0.61) MGLLCYP4F2CYP4A11BCHEMAOB
SCHEMBL5539967 0.99 MGLL (0.59) MGLLCYP4F2CYP4A11BCHEMAOB
SCHEMBL5536627 0.94 CYP4F2 (0.57) MGLLCYP4F2CYP4A11BCHEMAOB
SCHEMBL5544334 0.90 MGLL (0.49) MGLLBCHEMAOBMAOAFFAR1
SCHEMBL5536016 0.89 CYP4F2 (0.60) MGLLCYP4F2CYP4A11BCHEMAOB
SCHEMBL5543659 0.86 MGLL (0.59) MGLLBCHEFFAR1
SCHEMBL5543691 0.86 MGLL (0.59) MGLLBCHEFFAR1
SCHEMBL5543708 0.85 BCHE (0.59) MGLLBCHEFFAR1
SCHEMBL5543442 0.83 BCHE (0.50) MGLLCYP4F2CYP4A11BCHEMAOB
SCHEMBL6454846 0.82 HDAC1 (0.56)

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 MGLL 4717/4885CYP4F2 954/4885CYP4A11 1804/4885

“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.