SCHEMBL5544304

SCHEMBL5544304

O=[N+]([O-])c1cn2c(n1)OC1(CCN(c3ccc(C(F)(F)F)cc3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 6/20 0.44
ADRA1A P35348 1/20 0.38
NPY5R Q15761 1/20 0.38
ENPP2 Q13822 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
POLB P06746 1/20 0.36
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
AKR1C3 P42330 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
SERPINE1 P05121 1/20 0.34
CA12 O43570 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
SCHEMBL5536430 0.82 KCNH2 (0.42) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL5536080 0.81 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5542507 0.81 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5536070 0.81 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5542166 0.80 KCNH2 (0.40) PTGS1SLC6A2SLC6A4KCNH2POLB
SCHEMBL5542691 0.80 ENPP2 (0.47) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5544737 0.79 L3MBTL1 (0.41) KCNH2
SCHEMBL5542362 0.78 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5535614 0.78 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5546422 0.78 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2ENPP2

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 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885

“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.