SCHEMBL2823787

SCHEMBL2823787

CCc1[nH]c(C(=O)Nc2ccc3c(c2)OCCN3Cc2cccc(C(=O)OC)c2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
TNIK Q9UKE5 1/20 0.43
TOP2A P11388 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
AKT1 P31749 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2822035 0.92 SMN1; SMN2 (0.42) TOP2ASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL2822824 0.86 SIRT1 (0.40) TOP2ASMN1; SMN2TP53NPC1RAB9A
SCHEMBL2827072 0.86 TOP2A (0.42) TOP2ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15501937 0.84 TOP2A (0.40) TOP2ASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL2825202 0.82 TP53 (0.38) TOP2ASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL2826965 0.78 TOP2A (0.42) TOP2ASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL2823528 0.74 ROCK2 (0.55) ROCK2ROCK1TNIKSMN1; SMN2ALDH1A1
SCHEMBL23769113 0.73 ROCK2 (0.50) ROCK2ROCK1TNIKSMN1; SMN2ALDH1A1
SCHEMBL31490290 0.73 ROCK2 (0.50) ROCK2ROCK1TNIKSMN1; SMN2ALDH1A1
SCHEMBL2823006 0.71 ROCK2 (0.52) ROCK2ROCK1TNIKALDH1A1MEN1

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 1050/4885TNIK 914/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ROCK2 1755/4885ROCK1 822/4885TNIK 2051/4885

“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.