SCHEMBL2970539

SCHEMBL2970539

O=C(NO)c1cnc(N2CCc3c([nH]c4ccccc34)C2)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.62
HDAC1 Q13547 7/20 0.62
HDAC3 O15379 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
NCOR2 Q9Y618 1/20 0.51
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
TRPV1 Q8NER1 6/20 0.48
GPX4 P36969 1/20 0.48
KDM4E B2RXH2 1/20 0.47
FAAH O00519 1/20 0.47
GBA1 P04062 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46

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
SCHEMBL8260682 0.93 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2975525 0.91 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2968964 0.88 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2972615 0.87 GBA1 (0.53) HDAC6HDAC1TRPV1GPX4KDM4E
SCHEMBL2980457 0.86 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2969790 0.86 TRPV1 (0.50) HDAC6HDAC1TRPV1GPX4KDM4E
SCHEMBL2979134 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2975186 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2976283 0.85 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2968778 0.85 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8

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 11 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
JP-2008530136-A 2008-08-07 JP claimed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP claimed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US claimed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO 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.