SCHEMBL5539346

SCHEMBL5539346

C[C@]1(Cn2nc(-c3ccc(OC(F)(F)F)cc3)oc2=O)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.66
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SCN5A Q14524 6/20 0.46
CACNA1C Q13936 1/20 0.46
CHRM1 P11229 1/20 0.44
PSD A5PKW4 1/20 0.33
NOTUM Q6P988 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
GAA P10253 1/20 0.31
PGR P06401 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL5539352 1.00 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5537595 0.89 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5542722 0.88 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5541208 0.86 KCNH2 (0.48) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5534629 0.86 KCNH2 (0.48) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5540846 0.86 KCNH2 (0.48) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5543717 0.86 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL1228678 0.81 KCNH2 (0.94) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL19518618 0.80 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL19518599 0.80 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4SCN5A

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 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.