SCHEMBL5542166

SCHEMBL5542166

O=C(NCc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)Cn1cc([N+](=O)[O-])nc1O2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
ATG4B Q9Y4P1 1/20 0.39
POLB P06746 1/20 0.37
TRPM8 Q7Z2W7 8/20 0.37
SLC2A1 P11166 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL5546698 0.89 KCNH2 (0.54) KCNH2TRPM8HRH3PTGS1SLC6A2
SCHEMBL5544251 0.88 KDM4E (0.41) HRH3ALDH1A1
SCHEMBL5536430 0.87 KCNH2 (0.42) KCNH2SLC2A1HRH3PTGS1SLC6A2
SCHEMBL5542691 0.84 ENPP2 (0.47) KCNH2SLC2A1PTGS1SLC6A2SLC6A4
SCHEMBL14563904 0.84 KCNH2 (0.47) KCNH2ATG4BPOLBSLC2A1HRH3
SCHEMBL5544737 0.84 L3MBTL1 (0.41) KCNH2ALDH1A1
SCHEMBL5542853 0.82 ENPP2 (0.44) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5542973 0.80 L3MBTL1 (0.43) KCNH2ALDH1A1
SCHEMBL5544304 0.80 PTGS1 (0.47) KCNH2POLBPTGS1SLC6A2SLC6A4
SCHEMBL5543065 0.79 ENPP2 (0.42) KCNH2SLC2A1PTGS1SLC6A2SLC6A4

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 3503/4885ATG4B 4457/4885POLB 1637/4885

“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.