SCHEMBL14328165

SCHEMBL14328165

Cc1ccc(-n2cc(Cn3cccc(O)c3=S)nn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 10/20 0.79
▸ HDAC6 Q9UBN7 9/20 0.77
▸ NOTUM Q6P988 1/20 0.55
▸ RXRA P19793 2/20 0.47
▸ GRIN1 Q05586 2/20 0.47
▸ GRIN2B Q13224 2/20 0.47
▸ KCNH2 Q12809 4/20 0.45
▸ ESRRA P11474 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14322951 0.88 HDAC8 (1.00) HDAC8HDAC6NOTUML3MBTL1
SCHEMBL14328280 0.87 HDAC8 (1.00) HDAC8HDAC6NOTUMKCNH2ESRRA
SCHEMBL14328164 0.85 HDAC8 (0.60) HDAC8HDAC6NOTUMRXRAGRIN1
SCHEMBL14328316 0.85 HDAC8 (0.57) HDAC8HDAC6NOTUMRXRAGRIN1
SCHEMBL14324271 0.84 HDAC8 (0.60) HDAC8HDAC6NOTUMRXRAGRIN1
SCHEMBL14329739 0.83 HDAC8 (0.55) HDAC8HDAC6NOTUMRXRAGRIN1
SCHEMBL14324511 0.76 HDAC8 (0.77) HDAC8HDAC6NOTUMESRRAL3MBTL1
SCHEMBL16199219 0.75 HDAC8 (0.91) HDAC8HDAC6POLB
SCHEMBL14323424 0.74 HDAC8 (0.73) HDAC8HDAC6NOTUML3MBTL1
SCHEMBL14322781 0.73 HDAC8 (0.72) HDAC8HDAC6NOTUML3MBTL1

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-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-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

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-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF HDAC5, HDAC3, HDAC1 HDAC8 9/4885HDAC6 11/4885NOTUM 56/4885

“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.

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