SCHEMBL2827072

SCHEMBL2827072

CCc1[nH]c(C(=O)Nc2ccc3c(c2)OCCN3Cc2ccc(C(=O)O)cc2)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
MAPT P10636 7/20 0.39
NPC1 O15118 4/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX2 P34913 2/20 0.37
CPT2 P23786 2/20 0.37
CPT1A P50416 2/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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) TOP2ALMNAALDH1A1RAB9ATP53
SCHEMBL15501937 0.89 TOP2A (0.40) TOP2ALMNAALDH1A1RAB9ATP53
SCHEMBL2825202 0.87 TP53 (0.38) TOP2AALDH1A1RAB9ATP53SMN1; SMN2
SCHEMBL2823787 0.86 ROCK2 (0.45) TOP2AALDH1A1RAB9ATP53POLB
SCHEMBL2822824 0.83 SIRT1 (0.40) TOP2ARAB9ATP53SMN1; SMN2MAPT
SCHEMBL2825218 0.80 L3MBTL1 (0.41) TOP2AALDH1A1RAB9ATP53POLB
SCHEMBL2822912 0.78 TOP2A (0.41) TOP2ALMNARAB9ATP53SMN1; SMN2
SCHEMBL2825349 0.76 MAPT (0.40) TOP2ALMNAALDH1A1RAB9ATP53
SCHEMBL2830031 0.68 TOP2A (0.46) TOP2ARAB9ANPC1HDAC1
SCHEMBL2826834 0.67 TOP2A (0.46) TOP2AALDH1A1RAB9ASMN1; SMN2NPC1

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 12 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
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-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 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
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 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
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 TOP2A 3/4885LMNA 948/4885ALDH1A1 3596/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TOP2A 3/4885LMNA 1119/4885ALDH1A1 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.