SCHEMBL2827166

SCHEMBL2827166

CCOC(=O)c1ccccc1CN1CCOc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 1/20 0.40
PAX8 Q06710 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
SCHEMBL2824174 0.84 BRD4 (0.46) ALDH1A1KMT2ABRD4MAPTLMNA
SCHEMBL27583602 0.83 MAPT (0.51) ALDH1A1NPC1KMT2ABRD4SMN1; SMN2
SCHEMBL26870275 0.76 SCN9A (0.50) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5518656 0.76 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL2822301 0.75 ALDH1A1 (0.48) ALDH1A1NPC1KMT2ASMN1; SMN2POLB
SCHEMBL2823006 0.74 ROCK2 (0.52) ALDH1A1KMT2AMAPTPOLBHTT
SCHEMBL5519155 0.73 GAA (0.47) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL23804988 0.73 ALDH1A1 (0.44) ALDH1A1NPC1KMT2ASMN1; SMN2MAPT
SCHEMBL30132895 0.73 ALDH1A1 (0.44) ALDH1A1NPC1KMT2ASMN1; SMN2MAPT
SCHEMBL5519181 0.73 MAPT (0.47) ALDH1A1NPC1SMN1; SMN2MAPTPOLB

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 3596/4885NPC1 1573/4885KMT2A 847/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885NPC1 630/4885KMT2A 1335/4885

“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.