SCHEMBL8976870

SCHEMBL8976870

O=C(Cn1cc(-c2ccccc2)nn1)NO

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.69
HDAC2 Q92769 15/20 0.69
HDAC10 Q969S8 15/20 0.69
HDAC8 Q9BY41 15/20 0.69
HDAC6 Q9UBN7 15/20 0.69
HDAC3 O15379 14/20 0.69
HDAC4 P56524 14/20 0.69
HDAC7 Q8WUI4 14/20 0.69
HDAC11 Q96DB2 14/20 0.69
HDAC9 Q9UKV0 14/20 0.69
HDAC5 Q9UQL6 14/20 0.69
SRC P12931 1/20 0.56
CYP19A1 P11511 1/20 0.54
MEN1 O00255 1/20 0.53
CASP3 P42574 1/20 0.53
KMT2A Q03164 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL23774505 0.85 PDE4B (0.57) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL26355712 0.85 HDAC3 (0.69) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL11815716 0.84 SRC (0.61) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL30556704 0.81 SRC (0.58) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL26328679 0.81 SRC (0.62) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL22959003 0.81 SRC (0.58) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL15863726 0.80 SRC (0.82) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL19933784 0.79 HDAC3 (0.52) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL28330048 0.78 CYP19A1 (0.60) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL28397299 0.75 SRC (0.59) HDAC1HDAC2HDAC10HDAC8HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871728-B2 Non-peptide macrocyclic histone deacetylese (HDAC) inhibitors and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2014-10-28 US disclosed
US-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION 2012-12-27 US disclosed
US-8188054-B2 Non-peptide macrocyclic histone deacetylase (HDAC) inhibitors and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2012-05-29 US disclosed
US-20100197622-A1 Non-Peptide Macrocyclic Histone Deacetylase (HDAC) Inhibitors and Methods of Making and Using Thereof GEORGIA TECH RESEARCH CORPORATION 2010-08-05 US 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 (2 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-20100197622-A1 Non-Peptide Macrocyclic Histone Deacetylase (HDAC) Inhibitors and Methods of Making and Using Thereof HDAC5, HDAC3, HDAC1 HDAC1 3/4885HDAC2 10/4885HDAC10 8/4885
US-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF HDAC5, HDAC3, HDAC1 HDAC1 3/4885HDAC2 10/4885HDAC10 8/4885

“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.