SCHEMBL5534896

SCHEMBL5534896

O=COCc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
MAOA P21397 2/20 0.50
ALOX5 P09917 1/20 0.49
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CDK4 P11802 2/20 0.46
CCNB1 P14635 2/20 0.46
CCND1 P24385 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
TOP1 P11387 1/20 0.46
PTPN1 P18031 1/20 0.45
LCK P06239 1/20 0.44
BCHE P06276 2/20 0.44
GSTP1 P09211 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL28240060 0.84 ALOX5 (0.54) MAOBMAOAALOX5TOP1GSTP1
SCHEMBL3959610 0.84 MAOB (0.51) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL5544431 0.83 HTR1A (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL19339283 0.81 ALOX5 (0.54) MAOBMAOAALOX5TOP1BCHE
SCHEMBL5540079 0.81 AR (0.50) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL5534891 0.79 ALOX5 (0.49) MAOBMAOAALOX5TOP1PTPN1
SCHEMBL5545396 0.79 BCHE (0.62) MAOBMAOABCHEGSTP1LMNA
SCHEMBL7907404 0.78 ALOX5 (0.54) MAOBALOX5GSTP1LMNACYP1A2
SCHEMBL9774223 0.78 ALOX5 (0.54) MAOBMAOAALOX5TOP1LCK
SCHEMBL31166868 0.78 MAOB (0.57) MAOBMAOAALOX5TOP1LMNA

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 MAOB 2140/4885MAOA 2885/4885ALOX5 3374/4885

“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.