SCHEMBL14323724

SCHEMBL14323724

N#Cc1ccc(Cn2cc(CCCCCn3cccc(O)c3=S)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 13/20 0.64
▸ HDAC6 Q9UBN7 11/20 0.64
▸ CYP19A1 P11511 6/20 0.60
▸ HDAC2 Q92769 2/20 0.56
▸ HDAC1 Q13547 1/20 0.54

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
SCHEMBL14323714 0.90 HDAC8 (0.63) HDAC8HDAC6CYP19A1HDAC2HDAC1
SCHEMBL14323187 0.89 CYP19A1 (0.60) HDAC8HDAC6CYP19A1HDAC2HDAC1
SCHEMBL14323491 0.86 CYP19A1 (0.59) HDAC8HDAC6CYP19A1HDAC2HDAC1
SCHEMBL14323856 0.79 HDAC6 (0.49) HDAC8HDAC6CYP19A1HDAC2HDAC1
SCHEMBL14328239 0.78 HDAC8 (1.00) HDAC8HDAC6CYP19A1HDAC2HDAC1
SCHEMBL14323899 0.77 HDAC8 (0.47) HDAC8HDAC6CYP19A1HDAC2HDAC1
SCHEMBL14323931 0.74 HDAC8 (0.70) HDAC8HDAC6HDAC2
SCHEMBL14322781 0.73 HDAC8 (0.72) HDAC8HDAC6HDAC2
SCHEMBL14328327 0.72 HDAC8 (1.00) HDAC8HDAC6HDAC2HDAC1
SCHEMBL14328210 0.72 HDAC8 (1.00) HDAC8HDAC6CYP19A1HDAC2

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 9/4885HDAC6 11/4885CYP19A1 2320/4885

“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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