SCHEMBL5543346

SCHEMBL5543346

FC(F)(F)Oc1ccc(-c2[c]cco2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
KIF11 P52732 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
SCN5A Q14524 7/20 0.37
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
GALR1 P47211 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
IDO1 P14902 1/20 0.34
NPY5R Q15761 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
ACP1 P24666 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
SCHEMBL5539417 0.74 PTGS1 (0.38) NOTUM
SCHEMBL18293362 0.73 KIF11 (0.50) KIF11NISCHSCN5AAURKATPX2
SCHEMBL306823 0.73 KIF11 (0.50) KIF11NISCHSCN5AAURKATPX2
SCHEMBL28910204 0.71 SERPINE1 (0.49) KIF11NISCHSCN5AAURKATPX2
SCHEMBL4070737 0.70 NOTUM (0.40) NOTUMKIF11NISCHSCN5AMAPT
SCHEMBL533257 0.70 KIF11 (0.47) NOTUMKIF11NISCHSCN5ACA12
SCHEMBL6573034 0.70 KIF11 (0.47) NOTUMKIF11NISCHSCN5ACA12
SCHEMBL3785401 0.70 TAAR1 (0.46) KIF11CA12CA9MAPTCYP1A2
SCHEMBL5539585 0.70 NPC1 (0.39) NOTUMMAPT
SCHEMBL512152 0.70 CYP1A2 (0.46) NOTUMMAPTSCN2ACYP1A2

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 NOTUM 3827/4885KIF11 3946/4885NISCH 2425/4885

“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.