SCHEMBL5546766

SCHEMBL5546766

O=COCCCCCOCCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SIGMAR1 Q99720 6/20 0.47
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43
FFAR1 O14842 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL5544777 1.00 TDP1 (0.49) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL2961385 1.00 TDP1 (0.49) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL96791 1.00 TDP1 (0.49) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL5547690 1.00 TDP1 (0.49) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL5537354 1.00 TDP1 (0.49) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL5543105 1.00 TDP1 (0.49) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL5545719 1.00 TDP1 (0.49) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL5541586 0.98 TDP1 (0.48) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL5546441 0.98 TDP1 (0.48) TDP1L3MBTL1SIGMAR1MAPTRXFP1
SCHEMBL97490 0.98 TDP1 (0.46) TDP1L3MBTL1SIGMAR1MEN1KMT2A

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 TDP1 4666/4885L3MBTL1 1931/4885SIGMAR1 234/4885

“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.