SCHEMBL7168151

SCHEMBL7168151

CN(C)c1ccc2c(c1)C(=O)C(CCCCC(=O)NO)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.46
HDAC6 Q9UBN7 12/20 0.46
HDAC3 O15379 11/20 0.46
HDAC4 P56524 11/20 0.46
HDAC7 Q8WUI4 11/20 0.46
HDAC2 Q92769 11/20 0.46
HDAC10 Q969S8 11/20 0.46
HDAC11 Q96DB2 11/20 0.46
HDAC8 Q9BY41 11/20 0.46
HDAC9 Q9UKV0 11/20 0.46
HDAC5 Q9UQL6 11/20 0.46
CYP26A1 O43174 1/20 0.43
LTA4H P09960 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
SCHEMBL27599818 0.88 CYP26A1 (0.47) CYP26A1
SCHEMBL7164517 0.83 DRD2 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7228543 0.83 CYP19A1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7163249 0.79 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7171991 0.78 HDAC6 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7164574 0.76 CYP24A1 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7164822 0.76 HDAC8 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7167694 0.72 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7226512 0.72 KDM4E (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7148568 0.71 CYP24A1 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC7

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-1349830-A1 TETRALONE DERIVATIVES AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6531472-B2 Has histone deacetylase (HDAC) inhibitory activity which is useful in cancer treatment HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
WO-2002046144-A1 TETRALONE DERIVATIVES AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO disclosed
US-20020065282-A1 Tetralone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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-20020065282-A1 Tetralone derivatives HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC6 11/4885HDAC3 3/4885

“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.