SCHEMBL5543943

SCHEMBL5543943

O=[C]OCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.47
MGLL Q99685 2/20 0.46
GPR84 Q9NQS5 1/20 0.42
FFAR1 O14842 3/20 0.41
NAAA Q02083 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
AKR1B1 P15121 1/20 0.41
NR4A2 P43354 1/20 0.40
AOC3 Q16853 3/20 0.40
GGPS1 O95749 2/20 0.40
BACE1 P56817 1/20 0.39
BCL2 P10415 1/20 0.38

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
SCHEMBL5535803 0.90 AGXT (0.45) AGXTMGLLGPR84FFAR1NAAA
SCHEMBL5543861 0.89 AGXT (0.44) AGXTMGLLGPR84FFAR1NAAA
SCHEMBL5536735 0.87 AGXT (0.42) AGXTMGLLGPR84FFAR1NAAA
SCHEMBL5537089 0.87 AGXT (0.42) AGXTMGLLGPR84FFAR1NAAA
SCHEMBL5534909 0.84 FFAR1 (0.48) AGXTFFAR1NAAA
SCHEMBL26582 0.83 CA1 (0.48) FFAR1AKR1B1
SCHEMBL5540731 0.82 AGXT (0.59) AGXTMGLLGPR84FFAR1NAAA
SCHEMBL5541860 0.79 FFAR1 (0.52) FFAR1
SCHEMBL5536013 0.78 CYP4F2 (0.60) MGLLFFAR1NR4A2
SCHEMBL9869205 0.77 TAAR1 (0.52) GPR84FFAR4

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 AGXT 2967/4885MGLL 4717/4885GPR84 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.