SCHEMBL5447288

SCHEMBL5447288

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)O)cn2C)cn1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HRAS P01112 6/20 0.49
ESR1 P03372 6/20 0.49
ESR2 Q92731 6/20 0.49
TOP1 P11387 2/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
PRKCA P17252 3/20 0.48
PARP1 P09874 1/20 0.42
NAMPT P43490 2/20 0.42
HTT P42858 1/20 0.41
FLT3 P36888 1/20 0.41
SYK P43405 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL19614897 0.89 HRAS (0.52) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL2398688 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL14355720 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL18089498 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC8HRASESR1
Hydrochloric Acid SCHEMBL10691985 0.87 HDAC1 (0.54) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL5750249 0.87 HRAS (0.66) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL5750242 0.87 HDAC1 (0.54) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL10691569 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL10691121 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL13288102 0.86 HDAC1 (0.64) HDAC1HDAC2HDAC8HRASESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 HDAC1 1200/4885HDAC2 698/4885HDAC8 1057/4885

“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.