SCHEMBL5547880

SCHEMBL5547880

O=COCc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.43
SCN1A P35498 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
S1PR1 P21453 1/20 0.40
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
RORC P51449 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.38
KMO O15229 2/20 0.38
SLC1A5 Q15758 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
SCHEMBL5548458 0.88 MRGPRX4 (0.36) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL5537216 0.83 EPHX2 (0.44) HCRTR1HCRTR2
SCHEMBL5540437 0.80 KCNN4 (0.40)
SCHEMBL2091678 0.80 ALDH1A1 (0.49) MRGPRX4
SCHEMBL12093360 0.80 HCRTR1 (0.43) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL5547877 0.79 SCN3A (0.43) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL541099 0.78 IDO1 (0.47) PTGDR2MRGPRX4KMO
SCHEMBL12499144 0.78 SCN3A (0.42) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL10582291 0.77 TTR (0.45) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL95626 0.77 IDO1 (0.57)

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 SCN3A 1019/4885SCN1A 2660/4885SCN9A 3612/4885

“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.