SCHEMBL5540604

SCHEMBL5540604

CC1(COc2ccc(C3=CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.72
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
CHRM1 P11229 1/20 0.43
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
FFAR1 O14842 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
CACNA1H O95180 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL5540598 1.00 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5542215 0.88 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5542223 0.88 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL6010825 0.87 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1228678 0.86 KCNH2 (0.94) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543029 0.85 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543023 0.85 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5536515 0.85 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5544901 0.85 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5544893 0.85 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CHRM1

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.