SCHEMBL5579684

SCHEMBL5579684

O=C(O)c1ccc(CN2c3ccccc3NC(=O)[C@@H]2Cc2cccs2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.80
HDAC8 Q9BY41 9/20 0.80
HDAC6 Q9UBN7 9/20 0.80

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
SCHEMBL5579685 1.00 HDAC2 (0.80) HDAC2HDAC8HDAC6
SCHEMBL5077639 0.89 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL5075739 0.89 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL5075731 0.89 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL8246546 0.89 HDAC2 (0.68) HDAC2HDAC8HDAC6
SCHEMBL5078965 0.84 HDAC2 (0.76) HDAC2HDAC8HDAC6
SCHEMBL5078964 0.84 HDAC2 (0.76) HDAC2HDAC8HDAC6
SCHEMBL5284313 0.81 HDAC2 (0.65) HDAC2HDAC8HDAC6
SCHEMBL5284317 0.81 HDAC2 (0.65) HDAC2HDAC8HDAC6
SCHEMBL14472814 0.81 HDAC6 (0.81) HDAC2HDAC8HDAC6

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 HDAC2 4/4885HDAC8 9/4885HDAC6 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.