SCHEMBL4750486

SCHEMBL4750486

O=C1[N]c2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.42
CYBB P04839 1/20 0.39
NOX3 Q9HBY0 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
JUN P05412 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ACE2 Q9BYF1 1/20 0.38
TDP2 O95551 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 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
SCHEMBL4752992 0.87 KIF11 (0.41) JUNNFKB1NFKB2RELATDP2
SCHEMBL6222347 0.87 KIF11 (0.41) JUNNFKB1NFKB2RELATDP2
SCHEMBL9556590 0.83 JUN (0.43) GRM2CYBBNOX3NOX4NOX1
SCHEMBL5313362 0.75 MEN1 (0.37) JUNNFKB1NFKB2RELATDP2
SCHEMBL5606733 0.72 GRM2 (0.49) GRM2TDP2KIF11
SCHEMBL29446495 0.72 GRM2 (0.49) GRM2TDP2KIF11
SCHEMBL2719976 0.72 CES1 (0.44) GRM2
SCHEMBL4753998 0.72 CMA1 (0.43) GRM2TDP2
SCHEMBL2429783 0.70 JUN (0.44) JUNNFKB1NFKB2RELAACE2
SCHEMBL6221498 0.69 KIF11 (0.40) NFKB1NFKB2RELAMEN1KMT2A

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
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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO 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 GRM2 248/4885CYBB 632/4885NOX3 21/4885

“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.