SCHEMBL2823006

SCHEMBL2823006

COC(=O)c1cccc(CN2CCOc3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
TNIK Q9UKE5 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
MAPT P10636 3/20 0.40
ABHD6 Q9BV23 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8951345 0.92 ROCK2 (0.52) ROCK2ROCK1ALDH1A1LMNATNIK
SCHEMBL2822301 0.89 ALDH1A1 (0.48) ALDH1A1LMNASIRT2SIRT1MEN1
SCHEMBL2823528 0.84 ROCK2 (0.55) ROCK2ROCK1ALDH1A1TNIKSIRT2
SCHEMBL26870275 0.81 SCN9A (0.50) ALDH1A1LMNASIRT2SIRT1MEN1
SCHEMBL23769113 0.80 ROCK2 (0.50) ROCK2ROCK1ALDH1A1TNIKSIRT1
SCHEMBL31490290 0.80 ROCK2 (0.50) ROCK2ROCK1ALDH1A1TNIKSIRT1
SCHEMBL5517957 0.79 MAPT (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30132895 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL23804988 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL10870628 0.78 ROCK2 (0.55) ROCK2ROCK1ALDH1A1TNIKSIRT1

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ROCK2 1052/4885ROCK1 1050/4885ALDH1A1 3596/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ROCK2 1755/4885ROCK1 822/4885ALDH1A1 1220/4885

“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.