SCHEMBL5540133

SCHEMBL5540133

O=CNCc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
NR1H4 Q96RI1 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
CHRM5 P08912 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CHEK1 O14757 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR3 P46089 1/20 0.35
DDR1 Q08345 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
SCHEMBL10567138 0.88 KCNH2 (0.43) EPHX2NR1H4TRPV1CHRM5TDP1
SCHEMBL3890771 0.82 CHRM5 (0.40) CHRM5FFAR4SCN5AKCNH2GPR3
SCHEMBL20286051 0.80 APLNR (0.53) HTR2A
SCHEMBL5540126 0.79 EPHX2 (0.44) EPHX2NR1H4TRPV1CHRM5TDP1
SCHEMBL13783351 0.78 TRPV1 (0.46) EPHX2NR1H4TRPV1CHRM5MRGPRX4
SCHEMBL2090668 0.78 TRPV1 (0.46) EPHX2NR1H4TRPV1CHRM5MRGPRX4
SCHEMBL2091849 0.78 TRPV1 (0.41) EPHX2NR1H4TRPV1CHRM5MRGPRX4
SCHEMBL514072 0.74 ADH1B (0.50) EPHX2NR1H4
SCHEMBL2094324 0.74 TRPV1 (0.43) EPHX2NR1H4TRPV1CHRM5MRGPRX4
SCHEMBL2090671 0.74 TRPV1 (0.46) EPHX2NR1H4TRPV1CHRM5MRGPRX4

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 EPHX2 3662/4885NR1H4 171/4885TRPV1 3795/4885

“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.