SCHEMBL3534639

SCHEMBL3534639

Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(CNC(=O)c4ccncc4)ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.62
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
NAMPT P43490 1/20 0.50
EPHX2 P34913 3/20 0.49
PPARG P37231 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
SCHEMBL3537745 0.92 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR1NAMPT
SCHEMBL3534686 0.90 HDAC1 (0.61) HDAC1HDAC2HDAC3
SCHEMBL3540037 0.90 HDAC1 (0.62) HDAC1NAMPT
SCHEMBL3534606 0.88 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL3534645 0.85 HDAC1 (0.67) HDAC1HDAC2HDAC3NCOR1NAMPT
SCHEMBL8263252 0.84 HDAC1 (0.70) HDAC1HDAC2HDAC3
SCHEMBL3535258 0.83 HDAC1 (0.64) HDAC1HDAC2HDAC3NCOR1NAMPT
SCHEMBL3537122 0.83 HDAC1 (0.67) HDAC1HDAC2HDAC3NCOR1NAMPT
SCHEMBL3534706 0.83 HDAC1 (0.67) HDAC1HDAC2EPHX2PPARG
SCHEMBL3534273 0.83 HDAC1 (0.70) HDAC1HDAC2HDAC3

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.