SCHEMBL5544334

SCHEMBL5544334

O=COCCCCCCc1cccc(OCCCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
ADRB2 P07550 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
BCHE P06276 1/20 0.46
FFAR1 O14842 1/20 0.46
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
PLA2G4B P0C869 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NAAA Q02083 1/20 0.44

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
SCHEMBL5543354 0.90 MGLL (0.61) MGLLPPARAPPARGMAOAMAOB
SCHEMBL5542756 0.90 MGLL (0.61) MGLLPPARAPPARGMAOAMAOB
SCHEMBL5539967 0.89 MGLL (0.59) MGLLMAOAMAOBBCHEFFAR1
SCHEMBL5536627 0.87 CYP4F2 (0.57) MGLLMAOAMAOBBCHEFFAR1
SCHEMBL5543442 0.87 BCHE (0.50) MGLLADRB2DRD2DRD4DRD3
SCHEMBL5545618 0.86 BCHE (0.51) MGLLDRD2DRD4DRD3MAOA
SCHEMBL5541870 0.85 FFAR1 (0.52) DRD2DRD4DRD3MAOAMAOB
SCHEMBL5545861 0.85 FFAR1 (0.61) MGLLDRD2DRD4DRD3FFAR1
SCHEMBL5534673 0.85 FFAR1 (0.61) MGLLDRD2DRD4DRD3FFAR1
SCHEMBL5542304 0.85 FFAR1 (0.61) MGLLDRD2DRD4DRD3FFAR1

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 MGLL 4717/4885PPARA 429/4885PPARG 856/4885

“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.