SCHEMBL5546090

SCHEMBL5546090

O=C(OCc1ccc(-c2ccccc2)cc1)N1CCN(CCN2CCC3(CC2)Cn2cc([N+](=O)[O-])nc2O3)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 5/20 0.36
LIN28A Q9H9Z2 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
ACKR3 P25106 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5539718 0.90 ENPP2 (0.40) CA1CA2CA7CA9KMT2A
SCHEMBL6425174 0.88 MEN1 (0.44) MEN1KMT2ANPSR1KCNH2LIN28A
SCHEMBL5543065 0.88 ENPP2 (0.42) CA1CA2CA7CA9KCNH2
SCHEMBL5541283 0.87 KCNH2 (0.53) CA2HRH2HRH1KCNH2ENPP2
SCHEMBL6425348 0.82 ALDH1A1 (0.48) NPSR1KDM4E
SCHEMBL5542691 0.81 ENPP2 (0.47) KCNH2ENPP2ATXN2
SCHEMBL5542799 0.80 ENPP2 (0.42) KCNH2CACNA1CSCN5AENPP2ATXN2
SCHEMBL5542853 0.80 ENPP2 (0.44) KCNH2ENPP2ATXN2
SCHEMBL5537871 0.80 KCNH2 (0.42) KCNH2CACNA1CSCN5AACKR3
SCHEMBL5542184 0.79 KCNH2 (0.48) CA1CA2CA7CA9MEN1

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.