SCHEMBL1841985

SCHEMBL1841985

CC(=O)Nc1cn(C)c(C(=O)O)n1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.39
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2B P29275 1/20 0.36
ADORA2A P29274 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PIK3CG P48736 2/20 0.36
CYP1A2 P05177 1/20 0.35
PTK2 Q05397 1/20 0.34
MAPK8 P45983 2/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL13288059 0.92 KDM4E (0.44) KDM4ELMNAL3MBTL1BRD4HSD17B10
SCHEMBL12929062 0.86 L3MBTL1 (0.41) KDM4ELMNAL3MBTL1BRD4HSD17B10
SCHEMBL1841987 0.81 PIK3CG (0.38) KDM4ELMNAL3MBTL1BRD4HSD17B10
SCHEMBL26149344 0.81 CYP1A2 (0.39) KDM4ELMNAL3MBTL1BRD4MAPT
SCHEMBL29129120 0.80 ADORA3 (0.41) HSD17B10MAPTHTTADORA3ADORA1
SCHEMBL13623804 0.79 HCAR3 (0.42) KDM4ELMNAL3MBTL1MAPTHTT
SCHEMBL14003304 0.78 BACE1 (0.37) KDM4EHSD17B10MAPTTSHRHTT
SCHEMBL6782563 0.78
SCHEMBL6782152 0.78
SCHEMBL14003291 0.77 HDAC1 (0.44) KDM4ELMNAL3MBTL1BRD4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US 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 (1 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM KDM4E 4120/4885LMNA 889/4885L3MBTL1 811/4885

“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.