Sugi Predict

Sugi Predict / Compounds / SCHEMBL2979566

SCHEMBL2979566

SCHEMBL2979566

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.47
▸ HDAC6 Q9UBN7 7/20 0.47
▸ AURKA O14965 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL2980897 0.89 HDAC1 (0.48) HDAC1HDAC6SIRT2GAAPOLB
SCHEMBL2963933 0.89 HDAC1 (0.46) HDAC1HDAC6AURKAAURKBSIRT2
SCHEMBL2975451 0.88 HDAC1 (0.47) HDAC1HDAC6SIRT2GAAPOLB
SCHEMBL2980475 0.86 HDAC6 (0.51) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL2978492 0.86 HDAC1 (0.45) HDAC1HDAC6SIRT2GAAMAPT
SCHEMBL2971576 0.86 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL2981744 0.86 HDAC6 (0.51) HDAC1HDAC6SIRT2GAAPOLB
SCHEMBL2970457 0.86 HDAC6 (0.52) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL2970427 0.86 HDAC1 (0.48) HDAC1HDAC6SIRT2GAAPOLB
SCHEMBL2979298 0.85 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC3HDAC4

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 7 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-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 11/4885AURKA 1309/4885

“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.