SCHEMBL2966004

SCHEMBL2966004

O=C(NO)c1cnc(N2CCc3[nH]c4cc(F)ccc4c3C2)nc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.55
HDAC1 Q13547 8/20 0.55
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45
BAZ2B Q9UIF8 1/20 0.44
CTSK P43235 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM1A O60341 5/20 0.43
APAF1 O14727 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
SCHEMBL2978179 0.92 HDAC1 (0.65) HDAC6HDAC1BAZ2BAPAF1
SCHEMBL2976283 0.92 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2976278 0.89 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2972109 0.88 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2978941 0.86 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8262126 0.86 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2978826 0.85 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2975525 0.85 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2963876 0.84 HDAC1 (0.54) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2975186 0.84 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC7

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 8 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
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
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 1/4885HDAC3 9/4885

“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.