SCHEMBL5542016

SCHEMBL5542016

FC(F)(F)Oc1cccc(OCCC2CCC[N]2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
EPHX1 P07099 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
RXRA P19793 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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
SCHEMBL5544897 0.80 PPARD (0.42) PPARDPPARAGRIN2B
SCHEMBL5537079 0.79 PPARD (0.41) PPARDPPARAGRIN2B
SCHEMBL5547966 0.78 PPARD (0.41) PPARDPPARAGRIN2B
SCHEMBL5543396 0.78 PPARD (0.41) PPARDPPARAGRIN2B
SCHEMBL1831998 0.76 TAAR1 (0.65)
SCHEMBL1831997 0.76 TAAR1 (0.65)
SCHEMBL5535778 0.72 GRIN2B (0.40) PPARDPPARAEPHX1GRIN2B
SCHEMBL8891864 0.72 TAAR1 (0.44)
SCHEMBL9184514 0.70 TSHR (0.43) PPARDPPARAGRIN1GRIN2B
SCHEMBL7072919 0.70 KMT2A (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 PPARD 555/4885PPARA 429/4885ALOX5AP 4258/4885

“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.