SCHEMBL3534879

SCHEMBL3534879

Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)n(CCO)c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.67
HDAC3 O15379 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
NCOR2 Q9Y618 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL3534748 0.90 HDAC1 (0.56) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL3536701 0.89 HDAC1 (0.60) HDAC1HDAC11HDAC8HDAC6
SCHEMBL3534166 0.88 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3535952 0.88 HDAC1 (0.82) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3534818 0.84 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3540141 0.83 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3535882 0.83 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1065378 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3533866 0.80 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1065258 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US claimed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US claimed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US disclosed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 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-20060205941-A1 Histone deacetylase inhibitors HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC3 2/4885HDAC2 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.