SCHEMBL3537402

SCHEMBL3537402

Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2cc(C#N)ccc21

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.66
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
AR P10275 1/20 0.45
MMP13 P45452 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL3532866 0.96 HDAC1 (0.66) HDAC1HDAC8HDAC6MMP13SLC22A8
SCHEMBL8264133 0.88 HDAC1 (0.71) HDAC1HDAC8HDAC6
SCHEMBL3535952 0.86 HDAC1 (0.82) HDAC1
SCHEMBL3535280 0.86 HDAC1 (0.69) HDAC1HDAC8HDAC6
SCHEMBL3534742 0.86 HDAC1 (0.69) HDAC1HDAC8HDAC6
SCHEMBL3536813 0.84 HDAC1 (0.69) HDAC1HDAC8HDAC6
SCHEMBL3534226 0.84 HDAC1 (0.67) HDAC1HDAC8HDAC6
SCHEMBL3532266 0.82 HDAC1 (0.69) HDAC1HDAC8HDAC6
SCHEMBL3538578 0.82 HDAC1 (0.69) HDAC1HDAC8HDAC6
SCHEMBL3535089 0.81 HDAC1 (0.68) HDAC1AR

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 8 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

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 1/4885HDAC8 7/4885HDAC6 9/4885

“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.