SCHEMBL5579368

SCHEMBL5579368

O=C(NO)c1ccc2c(c1)NC(=O)C(CC1CCCCC1)NC2=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HDAC6 Q9UBN7 7/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL5077665 1.00 MEN1 (0.43) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL5579364 1.00 MEN1 (0.43) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL5081684 0.79 GAA (0.54) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL5579386 0.79 GAA (0.54) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL14472937 0.75 HDAC6 (0.55) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL5579420 0.74 HDAC8 (0.45) HDAC6HDAC1HDAC8HSD17B10ALOX15
SCHEMBL5075710 0.74 HDAC8 (0.45) HDAC6HDAC1HDAC8HSD17B10ALOX15
SCHEMBL5079009 0.74 HDAC8 (0.45) HDAC6HDAC1HDAC8HSD17B10ALOX15
SCHEMBL5081975 0.72 GAA (0.54) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL5579644 0.72 GAA (0.54) MEN1KMT2AHDAC6HDAC1HDAC8

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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 MEN1 4013/4885KMT2A 111/4885HDAC6 24/4885

“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.