SCHEMBL5542973

SCHEMBL5542973

O=C(CN1CCC2(CC1)Cn1cc([N+](=O)[O-])nc1O2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAOB P27338 2/20 0.39
KCNH2 Q12809 4/20 0.38
FAAH O00519 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
MDH1 P40925 1/20 0.38
MDH2 P40926 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
GPR183 P32249 2/20 0.37
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5544737 0.91 L3MBTL1 (0.41) L3MBTL1ALDH1A1KCNH2FAAHSIGMAR1
SCHEMBL5542799 0.88 ENPP2 (0.42) L3MBTL1KCNH2MGLL
SCHEMBL6425348 0.88 ALDH1A1 (0.48) ALDH1A1FAAHMGLLKDM4E
SCHEMBL5538545 0.86 CA1 (0.41) KCNH2
SCHEMBL5536430 0.86 KCNH2 (0.42) KCNH2
SCHEMBL5543065 0.83 ENPP2 (0.42) KCNH2SIGMAR1MGLL
SCHEMBL5543978 0.82 LMNA (0.40) ALDH1A1KCNH2KDM4E
SCHEMBL5542691 0.80 ENPP2 (0.47) KCNH2MGLL
SCHEMBL5542166 0.80 KCNH2 (0.40) ALDH1A1KCNH2
SCHEMBL5545671 0.80 KCNH2 (0.51) KCNH2

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 1931/4885ALDH1A1 355/4885MAOB 2140/4885

“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.