SCHEMBL5543065

SCHEMBL5543065

O=C(OCc1ccc(C(F)(F)F)cc1)N1CCN(CCN2CCC3(CC2)Cn2cc([N+](=O)[O-])nc2O3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.42
ATXN2 Q99700 5/20 0.42
KCNH2 Q12809 5/20 0.41
CHRM1 P11229 1/20 0.37
MGLL Q99685 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL5542691 0.94 ENPP2 (0.47) ENPP2ATXN2KCNH2CHRM1MGLL
SCHEMBL5542853 0.92 ENPP2 (0.44) ENPP2ATXN2KCNH2CHRM1MGLL
SCHEMBL5542799 0.92 ENPP2 (0.42) ENPP2ATXN2KCNH2CHRM1MGLL
SCHEMBL5541283 0.91 KCNH2 (0.53) ENPP2ATXN2KCNH2CHRM1PTGS1
SCHEMBL5539718 0.90 ENPP2 (0.40) ENPP2ATXN2KCNH2CHRM1CACNA1C
SCHEMBL5546090 0.88 CA1 (0.38) ENPP2ATXN2KCNH2CACNA1CSCN5A
SCHEMBL5546272 0.87 KCNH2 (0.49) ENPP2ATXN2KCNH2CHRM1PTGS1
SCHEMBL5546636 0.85 KCNH2 (0.48) ENPP2ATXN2KCNH2CHRM1PTGS1
SCHEMBL6010637 0.85 KCNH2 (0.51) ENPP2ATXN2KCNH2CHRM1PTGS1
SCHEMBL6010850 0.83 KCNH2 (0.46) ENPP2ATXN2KCNH2CHRM1PTGS1

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 ENPP2 2915/4885ATXN2 3603/4885KCNH2 3503/4885

“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.