SCHEMBL3540592

SCHEMBL3540592

Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(-c4cccnc4)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.59
NAMPT P43490 2/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC3 O15379 2/20 0.51
NCOR1 O75376 2/20 0.51
CYP3A4 P08684 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
ABL1 P00519 1/20 0.49
PDGFRB P09619 1/20 0.49
KDR P35968 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
SCHEMBL3534606 0.91 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3538636 0.87 HDAC1 (0.58) HDAC1NAMPTHDAC2HDAC3NCOR1
SCHEMBL3537745 0.86 HDAC1 (0.59) HDAC1NAMPTHDAC2HDAC3NCOR1
SCHEMBL3534645 0.86 HDAC1 (0.67) HDAC1NAMPTHDAC2HDAC3NCOR1
SCHEMBL3538851 0.85 HDAC1 (0.62) HDAC1
SCHEMBL3540806 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC3NCOR1
SCHEMBL3537122 0.84 HDAC1 (0.67) HDAC1NAMPTHDAC2HDAC3NCOR1
SCHEMBL3534669 0.84 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL8263252 0.84 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL3540037 0.83 HDAC1 (0.62) HDAC1NAMPT

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 1/4885NAMPT 126/4885HDAC2 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.