SCHEMBL5540658

SCHEMBL5540658

[O]CCC=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PYGL P06737 11/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
CHAT P28329 1/20 0.43
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
GUSB P08236 1/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5540657 1.00 ALDH1A1 (0.50) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL5537925 0.89 ALDH1A1 (0.47) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL5537927 0.89 ALDH1A1 (0.47) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL5539355 0.87 ALDH1A1 (0.46) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL5539348 0.87 ALDH1A1 (0.46) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL2092419 0.84 ALDH1A1 (0.54) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL2092421 0.84 ALDH1A1 (0.54) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL14833060 0.81 CHAT (0.47) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL9049523 0.81 PYGL (0.47) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL14833783 0.81 PYGL (0.47) ALDH1A1PYGLGRIK1GRIK2CHAT

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 ALDH1A1 355/4885PYGL 4210/4885GRIK1 591/4885

“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.