SCHEMBL5547313

SCHEMBL5547313

Cn1c(=O)n(CC2(C)CO2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 7/20 0.38
GRIN1 Q05586 5/20 0.38
GRIN2B Q13224 5/20 0.38
CRHR1 P34998 1/20 0.37
KMO O15229 1/20 0.37
KIF11 P52732 1/20 0.36
CMA1 P23946 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL5538957 0.83 PARG (0.40) PARGGRIN1GRIN2BALDH1A1
SCHEMBL5543507 0.81 LMNA (0.44) PARGALDH1A1
SCHEMBL5542178 0.79 PARG (0.39) PARGKDM4EALDH1A1
SCHEMBL5542385 0.78 CYP1A2 (0.50) PARGALDH1A1
SCHEMBL20569752 0.78 CYP1A2 (0.52) PARGALDH1A1
SCHEMBL5534462 0.75 PARG (0.45) PARGALDH1A1
SCHEMBL12040249 0.70 HTT (0.33) PARGKDM4EALDH1A1
SCHEMBL1668999 0.68 CRHR1 (0.55) PARGGRIN1GRIN2BCRHR1KMO
SCHEMBL1669000 0.68 CRHR1 (0.55) PARGGRIN1GRIN2BCRHR1KMO
SCHEMBL28353221 0.68 SCN9A (0.50)

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 PARG 4855/4885GRIN1 289/4885GRIN2B 504/4885

“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.