SCHEMBL5541763

SCHEMBL5541763

O=[C]NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
ROCK1 Q13464 2/20 0.49
ROCK2 O75116 1/20 0.49
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
DAO P14920 1/20 0.46
CETP P11597 3/20 0.45
GRM2 Q14416 1/20 0.45
KCNN3 Q9UGI6 1/20 0.44
CNR1 P21554 1/20 0.43
NAMPT P43490 1/20 0.42
P2RX7 Q99572 1/20 0.42
GLS O94925 1/20 0.42

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
SCHEMBL5540837 0.88 MAPK14 (0.41) MAPK14ROCK1ROCK2KDM5AKDM4C
SCHEMBL5543398 0.85 CNR1 (0.53) MAPK14ROCK1ROCK2KDM5AKDM4C
SCHEMBL5540691 0.83 WDR5 (0.36) MAPK14ROCK1ROCK2KDM5AKDM4C
SCHEMBL5540083 0.82 CHRM2 (0.49) MAPK14ROCK1ROCK2CHRM2CHRM1
SCHEMBL514071 0.80 EPHX2 (0.48) DAO
SCHEMBL10210658 0.79 MAPK14 (0.52) MAPK14ROCK1ROCK2KDM5AKDM4C
SCHEMBL3305886 0.79 CHRM2 (0.55) CHRM2CHRM1CHRM3
SCHEMBL5543805 0.79 CETP (0.51) MAPK14ROCK1ROCK2KDM5AKDM4C
SCHEMBL8348536 0.79 PRMT6 (0.59) MAPK14ROCK1ROCK2KDM5AKDM4C
SCHEMBL8221736 0.79 MAPK14 (0.52) MAPK14ROCK1ROCK2KDM5AKDM4C

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 MAPK14 2803/4885ROCK1 2494/4885ROCK2 2089/4885

“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.