SCHEMBL5542595

SCHEMBL5542595

[CH2]CC/C=C/NCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.43
ADH1C P00326 2/20 0.43
ADH1A P07327 2/20 0.43
ADH7 P40394 2/20 0.43
EPHX1 P07099 1/20 0.37
ADH4 P08319 1/20 0.37
TSHR P16473 5/20 0.32
ALDH1A1 P00352 1/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL5542600 1.00 ADH1B (0.43) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL5541501 0.92 EPHX1 (0.48) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL5541505 0.92 EPHX1 (0.48) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL5535015 0.89 ADH1B (0.41) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL5535010 0.89 ADH1B (0.41) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL5545667 0.86
SCHEMBL5545668 0.86
SCHEMBL1485866 0.84 ADH1B (0.48) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL1485856 0.84 ADH1B (0.48) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL21578558 0.84 ADH1B (0.48) ADH1BADH1CADH1AADH7EPHX1

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 ADH1B 281/4885ADH1C 285/4885ADH1A 494/4885

“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.