SCHEMBL2844783

SCHEMBL2844783

CCc1[nH]c(C(=O)NC2CCN(C(=O)C=Cc3ccc(C(=O)OC)cc3OC)CC2OC)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.37
HTR4 Q13639 13/20 0.36
KCNH2 Q12809 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ITGAL P20701 1/20 0.34
SPTLC2 O15270 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2844776 1.00 TOP2A (0.37) TOP2AHTR4KCNH2SMN1; SMN2NPC1
SCHEMBL2844782 1.00 TOP2A (0.37) TOP2AHTR4KCNH2SMN1; SMN2NPC1
SCHEMBL2844779 1.00 TOP2A (0.37) TOP2AHTR4KCNH2SMN1; SMN2NPC1
SCHEMBL2851203 0.94 NPC1 (0.39) TOP2AHTR4KCNH2SMN1; SMN2NPC1
SCHEMBL2851201 0.94 NPC1 (0.39) TOP2AHTR4KCNH2SMN1; SMN2NPC1
SCHEMBL2851196 0.94 NPC1 (0.39) TOP2AHTR4KCNH2SMN1; SMN2NPC1
SCHEMBL2851198 0.94 NPC1 (0.39) TOP2AHTR4KCNH2SMN1; SMN2NPC1
SCHEMBL2854835 0.92 CCR2 (0.36) TOP2AHTR4KCNH2ITGAL
SCHEMBL2854837 0.92 CCR2 (0.36) TOP2AHTR4KCNH2ITGAL
SCHEMBL2854831 0.92 CCR2 (0.36) TOP2AHTR4KCNH2ITGAL

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 TOP2A 3/4885HTR4 1184/4885KCNH2 2740/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TOP2A 3/4885HTR4 1697/4885KCNH2 2469/4885

“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.