SCHEMBL2118669

SCHEMBL2118669

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=CCCCNC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.72
HDAC1 Q13547 4/20 0.49
CD274 Q9NZQ7 1/20 0.49
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL2118666 1.00 HDAC3 (0.72) HDAC3HDAC1CD274DRD2DRD3
SCHEMBL1936637 0.85 HDAC3 (0.66) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL2119964 0.85 HDAC3 (0.66) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL1937900 0.85 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC8LMNA
SCHEMBL1937902 0.85 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC8LMNA
SCHEMBL1938428 0.84 HDAC3 (1.00) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL1938424 0.84 HDAC3 (1.00) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL2120692 0.84 HDAC3 (0.50) HDAC3HDAC1CD274DRD2DRD3
SCHEMBL2120691 0.84 HDAC3 (0.50) HDAC3HDAC1CD274DRD2DRD3
SCHEMBL1938909 0.82 HDAC3 (0.71) HDAC3HDAC1DRD2DRD3HDAC4

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
US-9796664-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2017-10-24 US disclosed
US-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION 2016-05-05 US disclosed
US-9265734-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2016-02-23 US disclosed
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors REPLIGEN CORPORATION (US) 2012-04-19 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 (2 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-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS HDAC1, HDAC5, HDAC2 HDAC3 5/4885HDAC1 1/4885CD274 3363/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC3 5/4885HDAC1 1/4885CD274 3363/4885

“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.