SCHEMBL1840897

SCHEMBL1840897

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2CC2CC2)cn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
PRKCA P17252 3/20 0.41
HRAS P01112 3/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
TOP1 P11387 2/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39
EP300 Q09472 2/20 0.36
HTT P42858 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NAMPT P43490 1/20 0.34
ERBB2 P04626 1/20 0.34
NPC1 O15118 1/20 0.34
DNM1L O00429 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
SCHEMBL3533232 0.97 HDAC1 (0.44) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1844965 0.88 HDAC1 (0.51) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL10690267 0.88 HDAC1 (0.51) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL10693709 0.88 HDAC1 (0.51) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1841398 0.85 HDAC1 (0.45) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1842682 0.85 HRAS (0.55) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1841620 0.84 HDAC1 (0.45) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL6783410 0.84 HDAC1 (0.45) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1843622 0.84 HDAC1 (0.44) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1844512 0.83 HDAC1 (0.45) HDAC1HDAC2HDAC8PRKCAHRAS

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 HDAC1 356/4885HDAC2 1194/4885HDAC8 385/4885

“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.