SCHEMBL5545400

SCHEMBL5545400

CCN1C(=O)[N]c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.39
PKN1 Q16512 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MYC P01106 1/20 0.34
NR4A1 P22736 1/20 0.34
PARK7 Q99497 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL5544804 0.87 PDE4A (0.37) PAK1PKN1GRIA1GRIA2GRIA3
SCHEMBL5546387 0.82 CNR2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5542403 0.80 PARK7 (0.51) PAK1PKN1GRIA1GRIA2GRIA3
SCHEMBL5544093 0.78 ALDH1A1 (0.36) ALDH1A1PARK7L3MBTL1MEN1KMT2A
SCHEMBL5539472 0.77 CA12 (0.44) PAK1PKN1GRIA1GRIA2GRIA3
SCHEMBL4753186 0.75 ALDH1A1 (0.41) ALDH1A1CNR1MEN1KMT2A
SCHEMBL7436460 0.75 ALDH1A1 (0.41) ALDH1A1CNR1MEN1KMT2A
SCHEMBL5546458 0.73 POLB (0.35) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6275037 0.68 PARK7 (0.66) ALDH1A1ALDH2ALDH3A1PARK7CA12
SCHEMBL32677715 0.68 PARK7 (0.66) ALDH1A1ALDH2ALDH3A1PARK7CA12

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 PAK1 2731/4885PKN1 4112/4885GRIA1 95/4885

“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.