SCHEMBL5075710

SCHEMBL5075710

O=C(NO)c1ccc2c(c1)NC(=O)[C@@H](c1ccccc1)NC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC1 Q13547 4/20 0.45
ALOX5 P09917 1/20 0.42
BACE1 P56817 2/20 0.42
HPGD P15428 1/20 0.40
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
HDAC2 Q92769 3/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KDM1A O60341 1/20 0.37
HDAC3 O15379 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
IDO1 P14902 1/20 0.37
ALOX15 P16050 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL5579420 1.00 HDAC8 (0.45) HDAC8HDAC6HDAC1ALOX5BACE1
SCHEMBL5079009 1.00 HDAC8 (0.45) HDAC8HDAC6HDAC1ALOX5BACE1
SCHEMBL14472937 0.80 HDAC6 (0.55) HDAC8HDAC6HDAC1ALOX5BACE1
SCHEMBL5579644 0.77 GAA (0.54) HDAC8HDAC6HDAC1ALOX5BACE1
SCHEMBL5081584 0.77 GAA (0.54) HDAC8HDAC6HDAC1ALOX5BACE1
SCHEMBL5081975 0.77 GAA (0.54) HDAC8HDAC6HDAC1ALOX5BACE1
SCHEMBL5579365 0.75 TNKS2 (0.59) HPGDTNKS2ALOX15HSD17B10
SCHEMBL5579367 0.75 TNKS2 (0.59) HPGDTNKS2ALOX15HSD17B10
SCHEMBL5579386 0.74 GAA (0.54) HDAC8HDAC6HDAC1ALOX5BACE1
SCHEMBL5081684 0.74 GAA (0.54) HDAC8HDAC6HDAC1ALOX5BACE1

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-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP claimed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO claimed
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 HDAC8 9/4885HDAC6 24/4885HDAC1 5/4885

“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.