SCHEMBL5546838

SCHEMBL5546838

[O]c1ccc2c(c1)C(=O)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.61
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ BRD4 O60885 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HSD17B1 P14061 2/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CES1 P23141 1/20 0.38
▸ TYMS P04818 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ IL4I1 Q96RQ9 1/20 0.38
▸ BAZ1A Q9NRL2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ S100A4 P26447 1/20 0.35

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
SCHEMBL5543621 0.87 MAOA (0.55) PBRM1HRH3HSD17B1MAOAMAOB
SCHEMBL5538267 0.82 CASP1 (0.61) PBRM1CASP1CASP7HSD17B10HRH3
SCHEMBL27286 0.76 PBRM1 (0.64) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL28880 0.76 PBRM1 (1.00) PBRM1CASP1CASP7HSD17B10HSD17B1
SCHEMBL31695158 0.76 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL8871212 0.76 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL10138376 0.76 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL7891254 0.76 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL1151032 0.76 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL354988 0.76 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4

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 PBRM1 1932/4885CASP1 2151/4885CASP7 2600/4885

“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.

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