SCHEMBL14322139

SCHEMBL14322139

O=c1c(O)cccn1CCCCCc1cn(-c2ccccc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.54
▸ DRD2 P14416 5/20 0.47
▸ DRD3 P35462 5/20 0.47
▸ NOTUM Q6P988 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MIF P14174 5/20 0.46
▸ DRD4 P21917 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ DDX3X O00571 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ CD74 P04233 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL14324230 0.99 HDAC8 (0.55) HDAC8DRD2DRD3NOTUML3MBTL1
SCHEMBL14323957 0.95 HDAC8 (0.56) HDAC8DRD2DRD3NOTUML3MBTL1
SCHEMBL14323393 0.90 HDAC8 (0.58) HDAC8DRD2DRD3NOTUML3MBTL1
SCHEMBL14324238 0.90 MIF (0.49) HDAC8DRD2DRD3NOTUML3MBTL1
SCHEMBL14324090 0.87 RXRA (0.45) HDAC8MIFDDX3XHDAC6
SCHEMBL14323931 0.86 HDAC8 (0.70) HDAC8DRD2DRD3NOTUML3MBTL1
SCHEMBL14322781 0.85 HDAC8 (0.72) HDAC8DRD2DRD3NOTUML3MBTL1
SCHEMBL14323975 0.84 DRD2 (0.48) HDAC8DRD2DRD3MIFDRD4
SCHEMBL14323561 0.83 HDAC8 (0.72) HDAC8DRD2DRD3NOTUML3MBTL1
SCHEMBL14323424 0.81 HDAC8 (0.73) HDAC8DRD2DRD3NOTUML3MBTL1

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 2 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

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 9/4885DRD2 3980/4885DRD3 2695/4885

“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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