SCHEMBL5536280

SCHEMBL5536280

[O]C1CC(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.45
AR P10275 6/20 0.42
ADORA3 P0DMS8 2/20 0.42
HSD11B1 P28845 1/20 0.42
AKR1C3 P42330 1/20 0.42
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
CYP3A4 P08684 2/20 0.38
HTR2C P28335 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL12405330 0.79 S100A4 (0.47) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL11869980 0.77 AR (0.46) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL2929675 0.77 AR (0.46) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL30737888 0.77 AR (0.46) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL19302757 0.77 AR (0.46) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL4459322 0.77 S100A4 (0.61) S100A4ARADORA3CYP19A1KDM4E
SCHEMBL9367273 0.76 ACHE (0.48) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL15129175 0.76 S100A4 (0.53) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL20368206 0.76 ACHE (0.48) S100A4ARADORA3HSD11B1AKR1C3
SCHEMBL9372008 0.76 ACHE (0.48) S100A4ARADORA3HSD11B1AKR1C3

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 S100A4 3326/4885AR 254/4885ADORA3 203/4885

“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.