SCHEMBL5545112

SCHEMBL5545112

[CH2]CCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
KIF11 P52732 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GRM2 Q14416 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 3/20 0.41
SERPINE1 P05121 1/20 0.40
PPARA Q07869 1/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
SCN5A Q14524 2/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
NISCH Q9Y2I1 1/20 0.39

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
SCHEMBL1046754 0.94 DAO (0.47) DAOGPR84FFAR1FFAR4ALDH1A1
SCHEMBL5542056 0.89 DAO (0.42) DAOKIF11GPR84FFAR1FFAR4
SCHEMBL5534616 0.89 EPHX2 (0.49) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL5546240 0.88 DAO (0.41) DAOKIF11GPR84FFAR1FFAR4
SCHEMBL5542757 0.86 DAO (0.40) DAOKIF11GPR84FFAR1FFAR4
SCHEMBL5539563 0.85 KIF11 (0.45) KIF11GRM2ALDH1A1TSHRSLC6A4
SCHEMBL19993379 0.83 DAO (0.45) DAOKIF11GPR84FFAR1FFAR4
SCHEMBL22621150 0.83 DAO (0.45) DAOKIF11GPR84FFAR1FFAR4
SCHEMBL1119469 0.83 DAO (0.45) DAOGPR84GRM2ALDH1A1TSHR
SCHEMBL8990856 0.81 TSHR (0.49) DAOKIF11GPR84FFAR1FFAR4

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 6 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
CN-101277740-B Antituberculous composition comprising azole compound OTSUKA PHARMA CO LTD 2012-12-05 CN 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 1115/4885KIF11 3946/4885GPR84 318/4885

“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.