SCHEMBL3535258

SCHEMBL3535258

Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2cc(CNC(=O)c3ccncc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.64
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
NCOR1 O75376 1/20 0.48
NAMPT P43490 1/20 0.48
PTK2 Q05397 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL3541750 0.92 HDAC1 (0.60) HDAC1HDAC2HDAC3NCOR1NAMPT
SCHEMBL3535508 0.90 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5330945 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC3PTK2HDAC8
SCHEMBL8264133 0.84 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL3535952 0.83 HDAC1 (0.82) HDAC1HDAC2HDAC3
SCHEMBL3534639 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR1NAMPT
SCHEMBL3535280 0.83 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3534742 0.83 HDAC1 (0.69) HDAC1HDAC2HDAC8HDAC6
SCHEMBL3534226 0.81 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC6
SCHEMBL3536813 0.81 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR1HDAC8

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 11 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
EP-1824831-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-29 EP claimed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US claimed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO 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.