SCHEMBL5544737

SCHEMBL5544737

O=C(N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCC2(CC1)Cn1cc([N+](=O)[O-])nc1O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 4/20 0.40
FAAH O00519 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MGLL Q99685 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5542973 0.91 L3MBTL1 (0.43) L3MBTL1KCNH2FAAHSIGMAR1MGLL
SCHEMBL5542853 0.88 ENPP2 (0.44) KCNH2MGLL
SCHEMBL5536430 0.86 KCNH2 (0.42) KCNH2
SCHEMBL5542166 0.84 KCNH2 (0.40) KCNH2ALDH1A1
SCHEMBL5542691 0.84 ENPP2 (0.47) KCNH2MGLL
SCHEMBL5543065 0.83 ENPP2 (0.42) KCNH2SIGMAR1MGLL
SCHEMBL5542799 0.83 ENPP2 (0.42) L3MBTL1KCNH2MGLL
SCHEMBL5538545 0.80 CA1 (0.41) KCNH2
SCHEMBL5539828 0.80 KCNH2 (0.53) L3MBTL1KCNH2ALDH1A1KDM4E
SCHEMBL5539838 0.80 KCNH2 (0.53) L3MBTL1KCNH2ALDH1A1KDM4E

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 L3MBTL1 1931/4885KCNH2 3503/4885FAAH 4363/4885

“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.