SCHEMBL14324090

SCHEMBL14324090

Cc1cccc(-n2cc(CCCCCn3cccc(O)c3=O)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 11/20 0.45
▸ GRIN1 Q05586 11/20 0.45
▸ GRIN2B Q13224 11/20 0.45
▸ DDX3X O00571 1/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HSD17B13 Q7Z5P4 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.41
▸ MIF P14174 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
SCHEMBL14324238 0.89 MIF (0.49) RXRAGRIN1GRIN2BDDX3XHDAC8
SCHEMBL14323567 0.88 HDAC8 (0.59) RXRAGRIN1GRIN2BDDX3XHDAC8
SCHEMBL14322139 0.87 HDAC8 (0.54) DDX3XHDAC8HDAC6MIF
SCHEMBL14324230 0.86 HDAC8 (0.55) DDX3XHDAC8HDAC6MIF
SCHEMBL14323957 0.82 HDAC8 (0.56) DDX3XHDAC8HDAC6MIF
SCHEMBL14323975 0.81 DRD2 (0.48) RXRAGRIN1GRIN2BHDAC8HDAC6
SCHEMBL14322416 0.78 DRD2 (0.50) RXRAGRIN1GRIN2BDDX3XHDAC8
SCHEMBL14323393 0.78 HDAC8 (0.58) HDAC8HDAC6MIF
SCHEMBL14324271 0.76 HDAC8 (0.60) RXRAGRIN1GRIN2BHDAC8HDAC6
SCHEMBL21974268 0.75 RXRA (0.59) RXRAGRIN1GRIN2BDDX3XMIF

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 RXRA 1133/4885GRIN1 1712/4885GRIN2B 334/4885

“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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