SCHEMBL5543379

SCHEMBL5543379

CCc1cccc(Nc2cc[c]cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.54
KIF11 P52732 1/20 0.46
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM4 Q14833 1/20 0.43
MAPT P10636 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
AR P10275 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CDK5 Q00535 1/20 0.42

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
SCHEMBL8896899 0.87 RAPGEF4 (0.67) RAPGEF4KIF11TP53HTTL3MBTL1
SCHEMBL4701514 0.85 RAPGEF4 (0.61) RAPGEF4KIF11TP53HTTL3MBTL1
SCHEMBL8490979 0.82 TOP2A (0.49) L3MBTL1MAPTALDH1A1MEN1AR
SCHEMBL5543937 0.79 RAB9A (0.46) L3MBTL1MAPTSIGMAR1ALDH1A1MEN1
SCHEMBL8067239 0.79 RAPGEF4 (0.54) RAPGEF4KIF11TP53HTTL3MBTL1
SCHEMBL29939003 0.79 RAPGEF4 (0.54) RAPGEF4KIF11TP53HTTL3MBTL1
SCHEMBL6029581 0.79 RAPGEF4 (0.54) RAPGEF4KIF11TP53HTTL3MBTL1
SCHEMBL8725842 0.79 MAPT (0.47) RAPGEF4HTTL3MBTL1MAPTALDH1A1
SCHEMBL8075313 0.79 RAPGEF4 (0.54) RAPGEF4KIF11TP53HTTL3MBTL1
SCHEMBL8897281 0.78 RAPGEF4 (0.67) RAPGEF4KIF11TP53HTTL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 RAPGEF4 4025/4885KIF11 3946/4885TP53 4494/4885

“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.