SCHEMBL2822301

SCHEMBL2822301

COC(=O)c1ccc(CN2CCOc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
SIRT1 Q96EB6 2/20 0.45
POLB P06746 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2823006 0.89 ROCK2 (0.52) ALDH1A1LMNASIRT1POLBCYP2C9
SCHEMBL5517957 0.85 MAPT (0.50) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL2823606 0.83 SIRT1 (0.51) SIRT1HDAC1HDAC6CYP2C9NPC1
SCHEMBL15524914 0.82 NPC1 (0.51) ALDH1A1LMNAPOLBHDAC1HDAC6
SCHEMBL26870275 0.81 SCN9A (0.50) ALDH1A1LMNASIRT1CYP2C9KMT2A
SCHEMBL8951345 0.81 ROCK2 (0.52) ALDH1A1LMNASIRT1POLBCYP2C9
SCHEMBL23769113 0.81 ROCK2 (0.50) ALDH1A1SIRT1HDAC1HDAC6CYP2C9
SCHEMBL30132895 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL31490290 0.81 ROCK2 (0.50) ALDH1A1SIRT1HDAC1HDAC6CYP2C9
SCHEMBL23804988 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1NPC1

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 ALDH1A1 3596/4885LMNA 948/4885SIRT1 804/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885LMNA 1119/4885SIRT1 197/4885

“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.