SCHEMBL5541422

SCHEMBL5541422

CN(C(=O)OCC1(C)Cn2cc([N+](=O)[O-])nc2O1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.72
SLC6A4 P31645 2/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CHRM1 P11229 1/20 0.44
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
BLM P54132 1/20 0.33
LIPE Q05469 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CACNA1H O95180 2/20 0.32
GRIN2B Q13224 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CACNA1G O43497 1/20 0.31

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
SCHEMBL5541415 1.00 KCNH2 (0.72) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL5541416 1.00 KCNH2 (0.72) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL5542961 0.89 KCNH2 (0.70) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL5542967 0.89 KCNH2 (0.70) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL5542956 0.89 KCNH2 (0.70) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL5545058 0.87 KCNH2 (0.52) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL5537899 0.87 KCNH2 (0.52) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL5545054 0.87 KCNH2 (0.52) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL5543023 0.84 KCNH2 (1.00) KCNH2SLC6A4PTGS1SLC6A2CHRM1
SCHEMBL5543029 0.84 KCNH2 (1.00) KCNH2SLC6A4PTGS1SLC6A2CHRM1

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 KCNH2 3503/4885SLC6A4 4191/4885PTGS1 3838/4885

“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.