SCHEMBL5535803

SCHEMBL5535803

O=[C]OCCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.45
NAAA Q02083 1/20 0.43
IDO1 P14902 1/20 0.41
MGLL Q99685 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 2/20 0.40
AKR1B1 P15121 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 1/20 0.39
NR4A2 P43354 1/20 0.38
GGPS1 O95749 2/20 0.38
AOC3 Q16853 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL5543861 0.95 AGXT (0.44) AGXTNAAAMGLLGPR84FFAR1
SCHEMBL5537089 0.94 AGXT (0.42) AGXTNAAAMGLLGPR84FFAR1
SCHEMBL5536735 0.94 AGXT (0.42) AGXTNAAAMGLLGPR84FFAR1
SCHEMBL5543943 0.90 AGXT (0.47) AGXTNAAAMGLLGPR84FFAR1
SCHEMBL5542769 0.85 FFAR1 (0.46) IDO1MGLLFFAR1LMNA
SCHEMBL96171 0.84 IDO1 (0.55) IDO1FFAR1LMNA
SCHEMBL5542117 0.80 HDAC2 (0.47) MGLLFFAR1
SCHEMBL5540731 0.80 AGXT (0.59) AGXTNAAAMGLLGPR84FFAR1
SCHEMBL2516 0.79 IDO1 (0.48) NAAAIDO1FFAR1LMNA
SCHEMBL5536626 0.79 CYP4F2 (0.57) MGLLFFAR1NR4A2

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 2414/4885IDO1 3181/4885

“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.