SCHEMBL5544897

SCHEMBL5544897

FC(F)(F)Oc1ccc(OCCCC2CCC[N]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
GRIN2B Q13224 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
NFE2L2 Q16236 1/20 0.36
EPHX2 P34913 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
NR1I2 O75469 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRM2 Q14416 1/20 0.34
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
SLC6A4 P31645 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GABBR2 O75899 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
SCHEMBL5537079 0.96 PPARD (0.41) PPARDPPARAGRIN2BHRH3SCN10A
SCHEMBL5543396 0.95 PPARD (0.41) PPARDPPARAGRIN2BSCN10ANFE2L2
SCHEMBL5547966 0.95 PPARD (0.41) PPARDPPARAGRIN2BSCN10ANFE2L2
SCHEMBL5535778 0.84 GRIN2B (0.40) PPARDPPARAGRIN2BSCN10AEPHX2
SCHEMBL5542016 0.80 PPARD (0.38) PPARDPPARAGRIN2B
SCHEMBL8766593 0.70 NFE2L2 (0.47) PPARDPPARAHRH3NFE2L2HRH2
SCHEMBL2426698 0.70 GRIN2B (0.45) GRIN2BHRH3SCN10AEPHX2NISCH
SCHEMBL13279577 0.68 FFAR4 (0.48) PPARDPPARAEPHX2HRH2HRH1
SCHEMBL2056145 0.68 LTA4H (0.52) HRH2HRH1CYP1A2CYP2D6CYP2C9
SCHEMBL13279649 0.68 KDM1A (0.48) NFE2L2MAOBSLC6A4

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 429/4885GRIN2B 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.