SCHEMBL6513385

SCHEMBL6513385

C[C@H](c1ccccc1)n1c(-c2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.79
HDAC8 Q9BY41 14/20 0.79
HDAC6 Q9UBN7 5/20 0.79

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
SCHEMBL6513395 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC6
SCHEMBL6513390 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC6
SCHEMBL6512867 0.91 HDAC1 (0.76) HDAC1HDAC8HDAC6
SCHEMBL6512864 0.91 HDAC1 (0.76) HDAC1HDAC8HDAC6
SCHEMBL5566777 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5560902 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5566770 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5560896 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5560899 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL6532814 0.82 HDAC1 (0.89) HDAC1HDAC8HDAC6

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
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC8 7/4885HDAC6 10/4885

“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.