SCHEMBL5542587

SCHEMBL5542587

FC(F)(F)Oc1ccccc1-c1c[c]oc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.48
TRPA1 O75762 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
S1PR1 P21453 3/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HSD11B1 P28845 1/20 0.38
CNR2 P34972 1/20 0.36

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
SCHEMBL306822 0.75 FFAR4 (0.55) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E
SCHEMBL29788132 0.75 FFAR4 (0.55) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E
SCHEMBL5540237 0.75 SCN9A (0.44) SCN9ATRPA1ALDH1A1FFAR4HSD11B1
SCHEMBL7701143 0.74 ALDH1A1 (0.50) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E
SCHEMBL699801 0.73 FFAR4 (0.47) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E
SCHEMBL3543334 0.72 SCN9A (0.46) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E
SCHEMBL456578 0.71 SCN9A (0.48) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E
SCHEMBL1045874 0.70 FFAR4 (0.51) SCN9ATRPA1L3MBTL1ALDH1A1FFAR4
SCHEMBL5541261 0.70 ALDH1A1 (0.42) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E
SCHEMBL2123079 0.70 CNR2 (0.44) SCN9ATRPA1L3MBTL1ALDH1A1KDM4E

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 SCN9A 3612/4885TRPA1 3038/4885L3MBTL1 1931/4885

“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.