SCHEMBL3628048

SCHEMBL3628048

COCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.51
HDAC2 Q92769 1/20 0.45

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
SCHEMBL3555273 0.90 HDAC1 (0.62) HDAC1HDAC2
SCHEMBL3554438 0.87 HDAC1 (0.60) HDAC1HDAC2
SCHEMBL3546721 0.81 NPC1 (0.53) HDAC1HDAC2
SCHEMBL3549025 0.78 HDAC1 (0.66) HDAC1HDAC2
SCHEMBL3554880 0.75 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3550002 0.74 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3546467 0.74 HDAC1 (0.58) HDAC1HDAC2
SCHEMBL3557664 0.74 HDAC1 (0.69) HDAC1
SCHEMBL3560199 0.74 HDAC1 (0.71) HDAC1HDAC2
SCHEMBL3551388 0.74 HDAC1 (0.60) HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US 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-20070015809-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 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.