SCHEMBL5547833

SCHEMBL5547833

[O]CC/C=C/c1cc(Cl)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
IDO1 P14902 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PPARG P37231 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
SCHEMBL5547835 1.00 AHR (0.45) AHRTSHRALDH1A1ALDH2IDO1
SCHEMBL5542151 0.88 AHR (0.42) AHRTSHRALDH1A1ALDH2
SCHEMBL5542154 0.88 AHR (0.42) AHRTSHRALDH1A1ALDH2
SCHEMBL5540804 0.86 AHR (0.41) AHRTSHRALDH1A1ALDH2
SCHEMBL5540806 0.86 AHR (0.41) AHRTSHRALDH1A1ALDH2
SCHEMBL2088489 0.82 AHR (0.48) AHRTSHRALDH1A1ALDH2IDO1
SCHEMBL2088491 0.82 AHR (0.48) AHRTSHRALDH1A1ALDH2IDO1
SCHEMBL2089767 0.78 CYP1A2 (0.47) AHRALDH1A1
SCHEMBL8325369 0.78 AHR (0.45) AHRTSHRIDO1CA12CA1
SCHEMBL2089769 0.78 CYP1A2 (0.47) AHRALDH1A1

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 AHR 1471/4885TSHR 319/4885ALDH1A1 355/4885

“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.