SCHEMBL5565773

SCHEMBL5565773

COc1ccc(-n2c(-c3cccc(/C=C\C(=O)Nc4ccccc4N)c3)nc3ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.78
HDAC8 Q9BY41 14/20 0.78
HDAC6 Q9UBN7 14/20 0.78
HDAC4 P56524 5/20 0.49
HDAC3 O15379 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
MEF2D Q14814 1/20 0.49

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
SCHEMBL8252859 1.00 HDAC1 (0.78) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL5565779 1.00 HDAC1 (0.78) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL5560245 0.92 HDAC1 (0.66) HDAC1HDAC8HDAC6HDAC4MEF2D
SCHEMBL8243038 0.92 HDAC1 (0.66) HDAC1HDAC8HDAC6HDAC4MEF2D
SCHEMBL5560246 0.92 HDAC1 (0.66) HDAC1HDAC8HDAC6HDAC4MEF2D
SCHEMBL5567129 0.89 HDAC1 (0.77) HDAC1HDAC8HDAC6
SCHEMBL8250983 0.89 HDAC1 (0.77) HDAC1HDAC8HDAC6
SCHEMBL5567131 0.89 HDAC1 (0.77) HDAC1HDAC8HDAC6
SCHEMBL5565817 0.88 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC4MEF2D
SCHEMBL8250741 0.88 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC4MEF2D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US claimed
EP-1608628-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP claimed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 US claimed
WO-2004082638-A2 HISTONE DEACETYLASE INHIBITORS SYRRX, INC. (US) 2004-09-30 WO claimed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 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-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC8 10/4885HDAC6 11/4885

“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.