SCHEMBL5544095

SCHEMBL5544095

[CH2]c1cccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 6/20 0.48
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
KIF11 P52732 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
F9 P00740 1/20 0.39
ABL1 P00519 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
SERPINE1 P05121 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL2091180 0.87 XDH (0.44) SLC13A5NPY5RDHODH
SCHEMBL29628993 0.87 SCN5A (0.54) SCN5ACA12CA9AURKATPX2
SCHEMBL5544749 0.82 SLC13A5 (0.47) SCN5ASLC13A5NPY5RDHODH
SCHEMBL2088727 0.81 KIF11 (0.49) SCN5ACA12CA9AURKATPX2
SCHEMBL98062 0.79 GPR3 (0.42) KIF11
SCHEMBL5544105 0.79 SCN5A (0.48) SCN5ACA12CA9AURKATPX2
SCHEMBL1241524 0.79 ABL1 (0.54) SCN5ACA12CA9AURKATPX2
SCHEMBL30363971 0.79 ABL1 (0.54) SCN5ACA12CA9AURKATPX2
SCHEMBL2655862 0.79 GRIN2B (0.51) SCN5ACA12CA9AURKATPX2
SCHEMBL5544915 0.79 CETP (0.43) MEN1ALDH1A1KMT2A

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 SCN5A 3856/4885CA12 1998/4885CA9 3134/4885

“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.