SCHEMBL5534656

SCHEMBL5534656

C/C(=N/N1CCN(C[C@@]2(C)Cn3cc([N+](=O)[O-])nc3O2)CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.64
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
CHRM1 P11229 1/20 0.42
GAA P10253 5/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
LSS P48449 1/20 0.32
KDM2B Q8NHM5 1/20 0.30
PGR P06401 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5534660 1.00 KCNH2 (0.64) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5534662 1.00 KCNH2 (0.64) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539247 0.90 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539243 0.90 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539250 0.90 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5537025 0.87 GAA (0.52) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5537028 0.87 GAA (0.52) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5537023 0.87 GAA (0.52) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541034 0.86 KCNH2 (0.64) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541039 0.86 KCNH2 (0.64) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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.