SCHEMBL5075725

SCHEMBL5075725

O=C(O)c1ccc(CN2C(=O)CNC(=O)C2Cc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.79
HDAC6 Q9UBN7 7/20 0.79
HDAC2 Q92769 5/20 0.79
HDAC1 Q13547 2/20 0.51

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
SCHEMBL5078261 0.89 HDAC6 (1.00) HDAC8HDAC6HDAC2HDAC1
SCHEMBL5078264 0.89 HDAC6 (1.00) HDAC8HDAC6HDAC2HDAC1
SCHEMBL5078936 0.84 HDAC2 (0.80) HDAC8HDAC6HDAC2
SCHEMBL5078305 0.84 HDAC8 (0.81) HDAC8HDAC6HDAC2HDAC1
SCHEMBL6007674 0.81 HDAC8 (0.62) HDAC8HDAC6HDAC2HDAC1
SCHEMBL7057266 0.81 HDAC8 (0.62) HDAC8HDAC6HDAC2HDAC1
SCHEMBL7826899 0.81 HDAC6 (0.62) HDAC8HDAC6HDAC2HDAC1
SCHEMBL2079073 0.80 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC1
SCHEMBL21563554 0.80 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC1
SCHEMBL8066345 0.80 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC1

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 disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 HDAC8 9/4885HDAC6 24/4885HDAC2 4/4885

“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.