SCHEMBL3534669

SCHEMBL3534669

Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(-c4ccoc4)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.60
HDAC2 Q92769 4/20 0.54
HDAC3 O15379 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
PGR P06401 1/20 0.46

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
SCHEMBL3534606 0.86 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC6
SCHEMBL3538851 0.86 HDAC1 (0.62) HDAC1PGR
SCHEMBL3540806 0.85 HDAC1 (0.61) HDAC1HDAC2HDAC3PGR
SCHEMBL8263252 0.84 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL3540592 0.84 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC11
SCHEMBL8262711 0.83 HDAC1 (0.63) HDAC1HDAC2HDAC3
SCHEMBL3534706 0.83 HDAC1 (0.67) HDAC1HDAC2HDAC6
SCHEMBL3534273 0.83 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL3537118 0.82 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL3538260 0.80 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC6HDAC10

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 9 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
EP-1824831-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-29 EP 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
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 1/4885HDAC2 4/4885HDAC3 2/4885

“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.