SCHEMBL5229892

SCHEMBL5229892

Nc1ccccc1NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)s1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.65
HDAC2 Q92769 10/20 0.65
HDAC1 Q13547 8/20 0.65
HDAC4 P56524 6/20 0.65
HDAC7 Q8WUI4 6/20 0.65
HDAC10 Q969S8 6/20 0.65
HDAC11 Q96DB2 6/20 0.65
HDAC8 Q9BY41 6/20 0.65
HDAC6 Q9UBN7 6/20 0.65
HDAC9 Q9UKV0 6/20 0.65
HDAC5 Q9UQL6 6/20 0.65
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL5228255 0.84 HDAC3 (0.59) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5224456 0.83 HDAC3 (0.58) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5226372 0.82 HDAC2 (0.61) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5226083 0.82 HDAC1 (0.67) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5228076 0.81 HDAC2 (0.74) HDAC3HDAC2HDAC1
SCHEMBL6337934 0.77 HDAC2 (0.53) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5224342 0.75 HDAC1 (0.70) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5224592 0.74 HDAC1 (0.72) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL3576103 0.73 POLB (0.53) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL20304929 0.72 HDAC1 (0.72) HDAC3HDAC2HDAC1HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC3 2/4885HDAC2 4/4885HDAC1 1/4885

“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.