SCHEMBL5542956

SCHEMBL5542956

CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)OC[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.70
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
CHRM1 P11229 1/20 0.47
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
LSS P48449 1/20 0.35
CACNA1H O95180 1/20 0.34
AMPD2 Q01433 1/20 0.33
SCN9A Q15858 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
BDKRB1 P46663 1/20 0.32
PDK1 Q15118 1/20 0.32
CA2 P00918 1/20 0.32
TXNRD1 Q16881 1/20 0.32

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
SCHEMBL5542961 1.00 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5542967 1.00 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5541416 0.89 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5541422 0.89 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5541415 0.89 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5544262 0.85 KCNH2 (0.71) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1228659 0.83 KCNH2 (0.79) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543029 0.83 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543023 0.83 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5537650 0.81 KCNH2 (0.75) 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.