SCHEMBL5539003

SCHEMBL5539003

Cc1c(O)ccc2c1OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.44
ESR2 Q92731 8/20 0.44
PARP1 P09874 2/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
DAO P14920 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
CNR2 P34972 1/20 0.36
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL10158247 0.89 ESR1 (0.42) ESR1ESR2PARP1MAOAMAOB
SCHEMBL10885614 0.79 PARP1 (0.43) PARP1MAOAMAOBDAODRD2
SCHEMBL12327553 0.79 PARP1 (0.39) PARP1MAOAMAOBDAOKDM4E
SCHEMBL8403384 0.78 PARP1 (0.42) PARP1DAOKDM4ECYP2A6ALDH1A1
SCHEMBL23870232 0.76 PARP1 (0.37) PARP1DAOERN1
SCHEMBL25981460 0.76 PARP1 (0.41) PARP1MAOAMAOBDAODRD2
SCHEMBL28330119 0.76 PARP1 (0.37) PARP1DAOHTR2A
SCHEMBL10157262 0.76 PARP1 (0.41) PARP1MAOAMAOBDAODRD2
SCHEMBL5538999 0.76 PARP1 (0.41) PARP1DAOKDM4ECYP2A6ALDH1A1
SCHEMBL2046624 0.76 PARP1 (0.41) PARP1MAOAMAOBDAODRD2

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 ESR1 1578/4885ESR2 339/4885PARP1 4420/4885

“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.