SCHEMBL17483930

SCHEMBL17483930

CN(CCC1CC2CC(C1)C2)Cc1ccc(/C=C/C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.54
▸ HDAC2 Q92769 18/20 0.47
▸ HDAC3 O15379 13/20 0.47

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
SCHEMBL17483929 0.88 HDAC1 (0.50) HDAC1HDAC2HDAC3
SCHEMBL17483969 0.87 HDAC1 (0.44) HDAC1HDAC2HDAC3
SCHEMBL17483982 0.86 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL17483990 0.84 HDAC1 (0.52) HDAC1HDAC2HDAC3
SCHEMBL17483931 0.84 HDAC1 (0.49) HDAC1HDAC2HDAC3
SCHEMBL17483936 0.83 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL18088445 0.80 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL17483925 0.79 HDAC1 (0.50) HDAC1HDAC2HDAC3
SCHEMBL17483935 0.79 HDAC3 (0.49) HDAC1HDAC2HDAC3
SCHEMBL4580375 0.79 HDAC1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 — — US disclosed
WO-2016018795-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-04 — — 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-20170349540-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 4/4885HDAC3 5/4885

“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.

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