SCHEMBL5544072

SCHEMBL5544072

FC(F)(F)Oc1cccc2c[c]oc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.34
MPL P40238 1/20 0.33
SCN9A Q15858 3/20 0.33
SLC40A1 Q9NP59 1/20 0.32
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
C1R P00736 1/20 0.30
RPS6KA2 Q15349 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL315654 0.77 CYP2A6 (0.47) KDM4EMAPTALDH1A1
SCHEMBL5543627 0.73 EPHX2 (0.32) KDM4EEPHX2
SCHEMBL5544258 0.72 EPHX2 (0.38) MPLSCN9AKDM4EL3MBTL1MAPT
SCHEMBL767336 0.72 ADORA3 (0.47) KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL5544622 0.70
SCHEMBL514334 0.70 CA12 (0.35)
SCHEMBL23932644 0.68 C1R (0.35) F2RL3MPLSCN9AKDM4EL3MBTL1
SCHEMBL5544077 0.67 SCN9A (0.36) F2RL3MPLSCN9ASLC40A1KDM4E
SCHEMBL5535638 0.67 SCN9A (0.35) F2RL3MPLSCN9AKDM4EL3MBTL1
SCHEMBL16456504 0.67 KDM4E (0.41) MPLSCN9ASLC40A1KDM4EC1R

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 F2RL3 4188/4885MPL 4578/4885SCN9A 3612/4885

“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.