SCHEMBL1840563

SCHEMBL1840563

CC(C)n1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C(C)C)cn2C(C)C)cc1C(=O)NCCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.49
ESR1 P03372 1/20 0.49
TOP1 P11387 1/20 0.49
ESR2 Q92731 1/20 0.49
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRKCA P17252 2/20 0.36
EIF4E P06730 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1841396 0.95 HRAS (0.57) HRASESR1TOP1ESR2KDM4E
SCHEMBL1842807 0.95 HRAS (0.57) HRASESR1TOP1ESR2KDM4E
SCHEMBL5750249 0.86 HRAS (0.66) HRASESR1TOP1ESR2KDM4E
SCHEMBL1841119 0.84 HRAS (0.48) HRASESR1TOP1ESR2KDM4E
SCHEMBL1843135 0.83 HDAC1 (0.52) HRASESR1TOP1ESR2KDM4E
SCHEMBL1842028 0.82 HDAC1 (0.42) KDM4EPOLBHDAC1HDAC2HDAC8
SCHEMBL1842667 0.82 HDAC1 (0.42) KDM4EPOLBHDAC1HDAC2HDAC8
SCHEMBL5750357 0.81 HRAS (0.58) HRASESR1TOP1ESR2KDM4E
SCHEMBL1842079 0.81 HRAS (0.55) HRASESR1TOP1ESR2KDM4E
SCHEMBL1842054 0.80 HRAS (0.49) HRASESR1TOP1ESR2KDM4E

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 8 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 claimed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US claimed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US claimed
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
EP-1467969-A2 DNA MINOR GROOVE BINDING COMPOUNDS The University of Strathclyde (GB) 2004-10-20 EP disclosed
WO-2003059881-A2 DNA MINOR GROOVE BINDING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2003-07-24 WO 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 HRAS 2839/4885ESR1 3299/4885TOP1 46/4885

“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.