SCHEMBL5542888

SCHEMBL5542888

[O]c1cccc2oc(=O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.56
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
MCL1 Q07820 1/20 0.48
SOST Q9BQB4 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CYP3A4 P08684 5/20 0.47
KCNA3 P22001 1/20 0.45
NCOA1 Q15788 1/20 0.44
NQO1 P15559 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
SCHEMBL2670683 0.77 NQO1 (0.62) CYP2A6CA12CA1CA9TDP1
SCHEMBL546445 0.77 CYP2A6 (0.59) CYP2A6CA12CA1CA9TDP1
SCHEMBL8252613 0.77 CYP2A6 (0.55) CYP2A6CA12CA1CA9TDP1
SCHEMBL450134 0.77 CA12 (0.60) CYP2A6CA12CA1CA9TDP1
SCHEMBL15842364 0.77 CYP2A6 (0.55) CYP2A6CA12CA1CA9TDP1
SCHEMBL11035090 0.77 CYP2A6 (0.55) CYP2A6CA12CA1CA9TDP1
SCHEMBL11034294 0.77 CYP2A6 (0.55) CYP2A6CA12CA1CA9TDP1
SCHEMBL15842581 0.76 CYP2A6 (0.54) CYP2A6CA12CA1CA9TDP1
SCHEMBL10506808 0.76 CYP2A6 (0.50) CYP2A6CA12CA1CA9TDP1
SCHEMBL5538005 0.74 NQO1 (0.64) CA12CA1CA9LMNACYP3A4

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 CYP2A6 1119/4885CA12 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.