SCHEMBL2976382

SCHEMBL2976382

O=C(NO)c1cnc(N2CCc3[nH]c4ccc(-c5ccc(CN6CCCC6)cc5)cc4c3C2)nc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.58
HDAC1 Q13547 10/20 0.58
HDAC8 Q9BY41 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
AKR1B1 P15121 1/20 0.47
CHEK1 O14757 2/20 0.43
ACHE P22303 1/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL2980516 0.93 HDAC1 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2978769 0.93 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2981479 0.93 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2980475 0.93 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2970457 0.92 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2976293 0.90 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2980332 0.89 HDAC1 (0.47) HDAC6HDAC1AKR1B1CHEK1ACHE
SCHEMBL2975832 0.87 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2970427 0.87 HDAC1 (0.48) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2979298 0.86 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC2

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 HDAC6 11/4885HDAC1 1/4885HDAC8 6/4885

“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.