SCHEMBL2963933

SCHEMBL2963933

CS(=O)(=O)NCc1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)NO)cn2)CC4)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.46
HDAC6 Q9UBN7 5/20 0.46
AAK1 Q2M2I8 1/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
SRC P12931 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL5316177 0.91 AURKA (0.41) AAK1AURKAAURKBSIRT2LIPG
SCHEMBL2979566 0.89 HDAC1 (0.47) HDAC1HDAC6AURKAAURKBSIRT2
SCHEMBL2980897 0.88 HDAC1 (0.48) HDAC1HDAC6SIRT2POLBGAA
SCHEMBL2979019 0.87 HDAC1 (0.44) HDAC1HDAC6AAK1SIRT2POLB
SCHEMBL2975451 0.87 HDAC1 (0.47) HDAC1HDAC6SIRT2POLBGAA
SCHEMBL2978661 0.87 HDAC6 (0.49) HDAC1HDAC6SIRT2POLBGAA
SCHEMBL2980475 0.85 HDAC6 (0.51) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL2981744 0.85 HDAC6 (0.51) HDAC1HDAC6SIRT2POLBGAA
SCHEMBL2970457 0.84 HDAC6 (0.52) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL2970427 0.84 HDAC1 (0.48) HDAC1HDAC6SIRT2POLBGAA

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 6 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 claimed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US claimed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US 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 HDAC1 1/4885HDAC6 11/4885AAK1 1887/4885

“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.