SCHEMBL2823220

SCHEMBL2823220

CCc1[nH]c(C(=O)Nc2ccc(-c3nc(C(=O)OC)co3)cc2OC)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.50
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 8/20 0.37
HPGD P15428 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 5/20 0.36
STAT3 P40763 3/20 0.36
LMNA P02545 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL2822560 0.93 TOP2A (0.50) TOP2AHDAC1HDAC8HDAC6HTT
SCHEMBL2823636 0.90 TOP2A (0.47) TOP2AHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL2823879 0.86 TOP2A (0.44) TOP2AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2825623 0.81 TOP2A (0.46) TOP2AHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL2826740 0.80 TOP2A (0.49) TOP2AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL13001896 0.80 TOP2A (0.49) TOP2AHTTALDH1A1HPGDNPC1
SCHEMBL2826182 0.77 ADRB2 (0.44) TOP2AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2826982 0.74 TOP2A (0.47) TOP2AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL2824061 0.70 HDAC1 (0.50) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL2824534 0.70 TARBP2 (0.49) TOP2AALDH1A1HPGDSMN1; SMN2MAPT

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 3/4885HDAC1 218/4885HDAC8 174/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TOP2A 3/4885HDAC1 41/4885HDAC8 320/4885

“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.