SCHEMBL5546121

SCHEMBL5546121

O=CCCCCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
DAO P14920 1/20 0.43
SLC6A5 Q9Y345 1/20 0.41
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
FAAH O00519 4/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GRM2 Q14416 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
CES1 P23141 3/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL5536523 0.98 GPR84 (0.46) GPR84DAOSLC6A5LTA4HEPHX2
SCHEMBL5537176 0.93 GPR84 (0.47) GPR84DAOSLC6A5LTA4HEPHX2
SCHEMBL5547971 0.88 PPARA (0.36) GPR84DAOSLC6A5FAAHPPARA
SCHEMBL584633 0.86 GPR84 (0.49) GPR84DAOLTA4HEPHX2SLC6A4
SCHEMBL5547603 0.86 PPARA (0.37) GPR84DAOSLC6A5FAAHPPARA
SCHEMBL5537500 0.84 SLC6A5 (0.47) GPR84DAOSLC6A5LTA4HEPHX2
SCHEMBL18924958 0.82 GPR84 (0.43) GPR84DAOSLC6A5LTA4HEPHX2
SCHEMBL1044875 0.81 DAO (0.47) GPR84DAOSLC6A5LTA4HEPHX2
SCHEMBL2094920 0.81 GPR84 (0.43) GPR84DAOSLC6A5LTA4HEPHX2
SCHEMBL22621150 0.81 DAO (0.45) GPR84DAOLTA4HEPHX2SLC6A4

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 GPR84 318/4885DAO 1115/4885SLC6A5 4639/4885

“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.