SCHEMBL5538545

SCHEMBL5538545

O=C(CN1CCN(CC(=O)N2CCC3(CC2)Cn2cc([N+](=O)[O-])nc2O3)CC1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
EPHX2 P34913 2/20 0.40
KCNH2 Q12809 5/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
LMNA P02545 1/20 0.38
DEGS1 O15121 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
TRPM8 Q7Z2W7 5/20 0.38
KMT2A Q03164 1/20 0.36
POLB P06746 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
SCHEMBL5542973 0.86 L3MBTL1 (0.43) KCNH2
SCHEMBL5542799 0.84 ENPP2 (0.42) KCNH2
SCHEMBL5542906 0.83 KCNH2 (0.50) CA1CA2CA7KCNH2CACNA1G
SCHEMBL5536430 0.83 KCNH2 (0.42) KCNH2
SCHEMBL5543978 0.81 LMNA (0.40) KCNH2LMNAKMT2APOLB
SCHEMBL5544737 0.80 L3MBTL1 (0.41) KCNH2
SCHEMBL14965644 0.79 CA1 (0.46) CA1CA2CA7KCNH2CACNA1G
SCHEMBL5542166 0.79 KCNH2 (0.40) KCNH2TRPM8POLB
SCHEMBL5540019 0.77 CHRM2 (0.42) KCNH2LMNAKMT2A
SCHEMBL5542691 0.77 ENPP2 (0.47) 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 CA1 3493/4885CA2 1853/4885CA7 2152/4885

“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.