SCHEMBL5538005

SCHEMBL5538005

[O]c1cc(=O)oc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.64
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA9 Q16790 2/20 0.62
ALDH1A1 P00352 4/20 0.52
MAOA P21397 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 2/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
PGAM1 P18669 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
PRKDC P78527 2/20 0.50
LMNA P02545 3/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL5396825 0.80 NQO1 (0.67) NQO1CA12CA1CA9ALDH1A1
SCHEMBL4396062 0.78 NQO1 (1.00) NQO1CA12CA1CA9ALDH1A1
SCHEMBL66891 0.77 MAOA (0.74) NQO1CA12CA1CA9ALDH1A1
SCHEMBL282184 0.77 NQO1 (0.62) NQO1CA12CA1CA9ALDH1A1
SCHEMBL21645358 0.77 NQO1 (0.62) NQO1CA12CA1CA9ALDH1A1
SCHEMBL23747123 0.77 NQO1 (0.62) NQO1CA12CA1CA9ALDH1A1
SCHEMBL5670266 0.77 NQO1 (0.62) NQO1CA12CA1CA9ALDH1A1
SCHEMBL3547598 0.77 NQO1 (0.62) NQO1CA12CA1CA9ALDH1A1
SCHEMBL15842374 0.77 NQO1 (0.62) NQO1CA12CA1CA9ALDH1A1
4-Hydroxycoumarins SCHEMBL131312 0.77 CA12 (1.00) NQO1CA12CA1CA9ALDH1A1

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 NQO1 491/4885CA12 1998/4885CA1 3493/4885

“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.