SCHEMBL5537744

SCHEMBL5537744

CCCCCCC1Cc2cc([O])ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.44
CYP1A2 P05177 2/20 0.41
PPARG P37231 1/20 0.40
GRM2 Q14416 5/20 0.39
SMPD1 P17405 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 2/20 0.38
SGPL1 O95470 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL5536723 0.99 SIRT2 (0.45) SIRT2CYP1A2PPARGGRM2SMPD1
SCHEMBL5548099 0.94 SIRT2 (0.40) SIRT2CYP1A2GRM2S1PR1SGPL1
SCHEMBL5542144 0.89 SIRT2 (0.42) SIRT2CYP1A2PPARGGRM2SMPD1
SCHEMBL5541999 0.88 HRH3 (0.40) SIRT2
SCHEMBL5538983 0.87 SIRT2 (0.43) SIRT2CYP1A2PPARGGRM2
SCHEMBL8690822 0.83 SIRT2 (0.46) SIRT2CYP1A2PPARGGRM2ALDH1A1
SCHEMBL5537748 0.83 GRM2 (0.46) SIRT2PPARGGRM2SMPD1
SCHEMBL5546421 0.82 SIRT2 (0.38) SIRT2CYP1A2GRM2
SCHEMBL5536590 0.82 HRH3 (0.41) ALDH1A1
SCHEMBL8936900 0.81 TDP1 (0.57) SIRT2GRM2SMPD1S1PR1S1PR3

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 SIRT2 309/4885CYP1A2 659/4885PPARG 856/4885

“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.