SCHEMBL2979569

SCHEMBL2979569

COC(=O)c1cnc(N2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2970472 0.88 HTR6 (0.48) HTR6HDAC1HDAC2HDAC6
SCHEMBL2969834 0.83 HTR5A (0.44) KMT2AHDAC1HDAC2HDAC6
SCHEMBL2978160 0.80 HDAC1 (0.53) HDAC1HDAC2HDAC6
SCHEMBL2971545 0.78 HDAC1 (0.40) KMT2AHDAC1HDAC6
SCHEMBL939354 0.73 HTR6 (0.57) HTR6
SCHEMBL2969790 0.72 TRPV1 (0.50) HDAC1HDAC6
SCHEMBL6013769 0.72 SCN9A (0.37) KMT2AHDAC1HDAC2HDAC6
SCHEMBL2971987 0.72 HDAC6 (0.46) HDAC1HDAC2HDAC6
SCHEMBL2973507 0.71 HDAC6 (0.54) HDAC1HDAC2HDAC6
SCHEMBL2979002 0.71 HDAC1 (0.43) MEN1KMT2AHDAC1HDAC6

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HTR6 2172/4885MEN1 3925/4885KMT2A 82/4885

“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.