SCHEMBL5543220

SCHEMBL5543220

CN(C(=O)OC(C)(C)C)C1CCN(CC2(C)Cn3cc([N+](=O)[O-])nc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
PIK3CD O00329 2/20 0.32
KDM4D Q6B0I6 1/20 0.32
KMT2A Q03164 1/20 0.31
CCR5 P51681 2/20 0.31
HSD11B1 P28845 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SPR P35270 2/20 0.30

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
SCHEMBL2097657 0.86 KCNH2 (0.56) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5545342 0.85 KCNH2 (0.45) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL2089046 0.84 PTGS1 (0.64) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL2089043 0.84 PTGS1 (0.64) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5534341 0.83 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5534343 0.83 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5534639 0.83 KCNH2 (0.44) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010603 0.83 KCNH2 (0.43) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL3466176 0.82 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010591 0.82 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2

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 3503/4885CACNA1C 3762/4885SCN5A 3856/4885

“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.