SCHEMBL5543317

SCHEMBL5543317

O=[N+]([O-])c1cn2c(n1)O[C@@H](CN1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
TGM2 P21980 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.36
COMT P21964 1/20 0.36
CHKA P35790 1/20 0.36
TACR1 P25103 1/20 0.36
CYP3A4 P08684 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
SCHEMBL5544155 1.00 CHRM1 (0.43) CHRM1KDM4EALDH1A1CASP1CASP4
SCHEMBL5543324 1.00 CHRM1 (0.43) CHRM1KDM4EALDH1A1CASP1CASP4
SCHEMBL5540981 0.89 ENPP2 (0.40) CHRM1
SCHEMBL5540976 0.89 ENPP2 (0.40) CHRM1
SCHEMBL5548049 0.85 SIGMAR1 (0.39) CHRM1ALDH1A1BCHEACHEBACE1
SCHEMBL5534534 0.85 SIGMAR1 (0.39) CHRM1ALDH1A1BCHEACHEBACE1
SCHEMBL5534527 0.85 SIGMAR1 (0.39) CHRM1ALDH1A1BCHEACHEBACE1
SCHEMBL6010744 0.85 CHRM1 (0.44) CHRM1KDM4EALDH1A1TGM2NPSR1
SCHEMBL5542598 0.85 CHRM1 (0.44) CHRM1KDM4EALDH1A1TGM2NPSR1
SCHEMBL6010758 0.83 CHRM1 (0.38) CHRM1ALDH1A1TGM2LMNA

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 CHRM1 463/4885KDM4E 4854/4885ALDH1A1 355/4885

“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.