SCHEMBL5542275

SCHEMBL5542275

[O]c1ccc2oc(=O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.62
CA9 Q16790 7/20 0.62
MCL1 Q07820 5/20 0.62
ALDH1A1 P00352 4/20 0.62
CA2 P00918 3/20 0.61
CA3 P07451 3/20 0.61
CA4 P22748 3/20 0.61
CA6 P23280 3/20 0.61
CA5A P35218 3/20 0.61
CA7 P43166 3/20 0.61
CA14 Q9ULX7 3/20 0.61
CA5B Q9Y2D0 3/20 0.61
CA1 P00915 3/20 0.61
HSD17B10 Q99714 4/20 0.58
LMNA P02545 3/20 0.58
CYP3A4 P08684 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
HPGD P15428 3/20 0.58
CYP1A2 P05177 2/20 0.58
MAPT P10636 2/20 0.58

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
SCHEMBL28330082 0.91 CA12 (0.53) CA12CA9MCL1ALDH1A1CA2
SCHEMBL5539713 0.84 CA12 (0.61) CA12CA9MCL1ALDH1A1CA2
SCHEMBL29412607 0.77 ALDH1A1 (1.00) CA12CA9MCL1ALDH1A1CA2
6-Hydroxycoumarin SCHEMBL30640534 0.77 CA12 (1.00) CA12CA9MCL1ALDH1A1CA2
SCHEMBL1094181 0.77 PGR (0.73) CA12CA9MCL1ALDH1A1CA2
SCHEMBL16410056 0.77 CA12 (0.60) CA12CA9MCL1ALDH1A1CA2
SCHEMBL194842 0.77 ALDH1A1 (1.00) CA12CA9MCL1ALDH1A1CA2
6-Hydroxycoumarin SCHEMBL187709 0.77 CA12 (1.00) CA12CA9MCL1ALDH1A1CA2
SCHEMBL875198 0.77 CA12 (0.60) CA12CA9MCL1ALDH1A1CA2
SCHEMBL3086551 0.77 CA12 (0.60) CA12CA9MCL1ALDH1A1CA2

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 CA12 1998/4885CA9 3134/4885MCL1 3401/4885

“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.