SCHEMBL5536735

SCHEMBL5536735

O=[C]OCCCCCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.42
NAAA Q02083 2/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NR4A2 P43354 1/20 0.40
MGLL Q99685 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL5537089 1.00 AGXT (0.42) AGXTNAAAPDE4APDE4BPDE4C
SCHEMBL5543861 0.98 AGXT (0.44) AGXTNAAAPDE4APDE4BPDE4C
SCHEMBL5535803 0.94 AGXT (0.45) AGXTNAAANR4A2MGLLGPR84
SCHEMBL5543943 0.87 AGXT (0.47) AGXTNAAANR4A2MGLLGPR84
SCHEMBL5541302 0.86 HDAC2 (0.49) MGLLFFAR1
SCHEMBL5541714 0.86 HDAC2 (0.49) MGLLFFAR1
SCHEMBL11103088 0.85 MAPT (0.48) NAAAFFAR1
SCHEMBL11102439 0.85 MAPT (0.48) NAAAFFAR1
SCHEMBL11108660 0.85 MAPT (0.48) NAAAFFAR1
SCHEMBL11103301 0.85 MAPT (0.48) NAAAFFAR1

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 2967/4885NAAA 2414/4885PDE4A 4145/4885

“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.