SCHEMBL5540697

SCHEMBL5540697

O=CNCc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
WDR5 P61964 1/20 0.36
MAPK14 Q16539 1/20 0.35
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HTR2C P28335 2/20 0.33
EPHX2 P34913 2/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3891414 0.83 CHRM2 (0.53) ADH1BADH1CADH1AADH7CHRM2
SCHEMBL514072 0.82 ADH1B (0.50) ADH1BADH1CADH1AADH7HTR2C
SCHEMBL4881807 0.76 TSHR (0.51) ADH1BADH1CADH1AADH7KDM4E
SCHEMBL5540691 0.75 WDR5 (0.36) CHRM2CHRM1CHRM3WDR5MAPK14
SCHEMBL2092428 0.73 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX2GPR84
SCHEMBL21377112 0.73 PRMT6 (0.54) PRMT6ROCK2ROCK1
SCHEMBL2089809 0.72 CHRM2 (0.41) CHRM2CHRM1CHRM3MAPK14EPHX2
SCHEMBL17335728 0.72 KCNN4 (0.40) ADH1BADH1CADH1AADH7
SCHEMBL568587 0.72 RHOC (0.46) ADH1BADH1CADH1AADH7
Formic Acid SCHEMBL5072954 0.71 MEN1 (0.49) ADH1BADH1CADH1AADH7KDM4E

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 ADH1B 281/4885ADH1C 285/4885ADH1A 494/4885

“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.