SCHEMBL5541811

SCHEMBL5541811

CC1(COC(=O)N2CCc3cc(Cl)ccc32)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
NOTUM Q6P988 1/20 0.41
DRD4 P21917 1/20 0.39
SCN5A Q14524 2/20 0.38
CACNA1C Q13936 1/20 0.38
HSD17B3 P37058 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
SCN9A Q15858 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
CYP3A4 P08684 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
AVPR1A P37288 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL5541805 1.00 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4NOTUM
SCHEMBL5544874 0.95 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4NOTUM
SCHEMBL5544878 0.95 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4NOTUM
SCHEMBL5542663 0.87 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5542659 0.87 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5534497 0.84 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5534493 0.84 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5541204 0.79 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5541200 0.79 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4SCN5A
SCHEMBL5541198 0.79 KCNH2 (0.53) 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.