SCHEMBL5536474

SCHEMBL5536474

O=[C]OC/C=C/c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
CYP2D6 P10635 1/20 0.41
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HDAC1 Q13547 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
DAO P14920 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL5536477 1.00 GRIK1 (0.46) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL5544041 0.84 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL5548260 0.82 PIM1 (0.42) PIM1PIM2MAOBDAO
SCHEMBL5548259 0.82 PIM1 (0.42) PIM1PIM2MAOBDAO
SCHEMBL5546304 0.81 CYP1A2 (0.46) GRIK1GRIK2HDAC1CA1CA2
SCHEMBL2091007 0.81 GRIK1 (0.48) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2091009 0.81 GRIK1 (0.48) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL5546301 0.81 CYP1A2 (0.46) GRIK1GRIK2HDAC1CA1CA2
SCHEMBL5545961 0.79 GSK3B (0.49) CYP2D6HDAC1HDAC8KDM4E
SCHEMBL2088583 0.79 GRIK1 (0.46) GRIK1GRIK2CYP2D6PIM1PIM2

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 GRIK1 591/4885GRIK2 543/4885CYP2D6 728/4885

“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.