SCHEMBL5543816

SCHEMBL5543816

O=[C]OCCc1nnnn1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
MAPK1 P28482 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
SCHEMBL5543817 0.81 ALDH1A1 (0.31) TLR8ALDH1A1L3MBTL1MAPK1
SCHEMBL5543435 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL5543968 0.79 POLB (0.48) TLR8ALDH1A1L3MBTL1
SCHEMBL5548018 0.73 HSD11B1 (0.53) ALDH1A1L3MBTL1
SCHEMBL5537170 0.71 ALDH1A1 (0.49) ALDH1A1L3MBTL1
SCHEMBL5546084 0.71 HSD11B1 (0.50) ALDH1A1L3MBTL1
SCHEMBL5537088 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1
SCHEMBL5536565 0.70 HSD11B1 (0.44) ALDH1A1
SCHEMBL5544587 0.70 NPC1 (0.36) ALDH1A1L3MBTL1
SCHEMBL5539746 0.69 HSD11B1 (0.40) ALDH1A1

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
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
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 TLR8 1198/4885ALDH1A1 355/4885L3MBTL1 1931/4885

“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.