SCHEMBL5540079

SCHEMBL5540079

O=COCc1ccc(OCc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
MAOB P27338 6/20 0.46
MAOA P21397 2/20 0.46
ALOX5 P09917 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
TOP1 P11387 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PDK2 Q15119 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL695145 0.82 AR (0.52) ARMAOBALOX5MRGPRX4PDK2
SCHEMBL5540071 0.82 AR (0.50) ARMAOBMAOAALOX5MRGPRX4
SCHEMBL5534896 0.81 MAOB (0.50) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL694270 0.81 AR (0.51) ARMAOBMAOAALOX5MAPT
SCHEMBL4973527 0.80 POLB (0.57) ARMAOBMAOAALOX5POLB
SCHEMBL1941274 0.75 MAOB (0.57) ARMAOBMAPTMRGPRX4
SCHEMBL2091829 0.75 IDO1 (0.59) ARMAOBMAOA
SCHEMBL5545396 0.75 BCHE (0.62) MAOBMAOAMAPTCA12CA1
SCHEMBL5544158 0.75 MRGPRX4 (0.46) MAOBMAOAMRGPRX4CCNB2CDK1
SCHEMBL5017371 0.75 AR (0.53) ARMAOBMAOAALOX5MAPT

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 AR 254/4885MAOB 2140/4885MAOA 2885/4885

“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.