SCHEMBL5546240

SCHEMBL5546240

[CH2]CCCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
KIF11 P52732 1/20 0.40
GRM2 Q14416 2/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
SERPINE1 P05121 1/20 0.38
PPARA Q07869 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC13A5 Q86YT5 1/20 0.37
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 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
SCHEMBL5542757 0.98 DAO (0.40) DAOFFAR1FFAR4GPR84KIF11
SCHEMBL5542056 0.95 DAO (0.42) DAOFFAR1FFAR4GPR84KIF11
SCHEMBL1119460 0.95 DAO (0.44) DAOGPR84GRM2SLC6A4SLC6A3
SCHEMBL1047265 0.93 DAO (0.43) DAOGPR84GRM2SLC6A4SLC6A3
SCHEMBL19993379 0.90 DAO (0.45) DAOFFAR1FFAR4GPR84KIF11
SCHEMBL22621150 0.90 DAO (0.45) DAOFFAR1FFAR4GPR84KIF11
SCHEMBL1119469 0.90 DAO (0.45) DAOGPR84GRM2SLC6A4SLC6A3
SCHEMBL5542307 0.89 LTA4H (0.45) DAOGPR84GRM2SLC6A4SLC6A3
SCHEMBL5545112 0.88 DAO (0.44) DAOFFAR1FFAR4GPR84KIF11
SCHEMBL5535120 0.85 EPHX2 (0.47) DAOGPR84GRM2SLC6A4SLC6A3

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 DAO 1115/4885FFAR1 105/4885FFAR4 338/4885

“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.