SCHEMBL5535808

SCHEMBL5535808

O=COCCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.45
GPR84 Q9NQS5 1/20 0.43
IDO1 P14902 1/20 0.41
MGLL Q99685 1/20 0.40
AKR1B1 P15121 2/20 0.40
NAAA Q02083 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
NR4A2 P43354 1/20 0.38
AKR1B10 O60218 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
SCHEMBL5543864 0.95 AGXT (0.44) AGXTGPR84MGLLAKR1B1NAAA
SCHEMBL5536741 0.94 AGXT (0.42) AGXTGPR84MGLLAKR1B1NAAA
SCHEMBL5537092 0.94 AGXT (0.42) AGXTGPR84MGLLAKR1B1NAAA
SCHEMBL5543952 0.90 AGXT (0.47) AGXTGPR84MGLLAKR1B1NAAA
SCHEMBL5542777 0.85 FFAR1 (0.46) IDO1MGLLFFAR1LMNA
SCHEMBL27373 0.84 IDO1 (0.55) IDO1FFAR1LMNA
SCHEMBL27558743 0.81 AGXT (0.39) AGXTGPR84MGLLAKR1B1FFAR1
SCHEMBL5542123 0.80 HDAC2 (0.47) MGLLFFAR1
SCHEMBL5540736 0.80 AGXT (0.59) AGXTGPR84MGLLAKR1B1NAAA
SCHEMBL2517 0.79 SIGMAR1 (0.48) IDO1FFAR1LMNA

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 2967/4885GPR84 318/4885IDO1 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.