SCHEMBL3033958

SCHEMBL3033958

CC(C)(C)c1c(C(N)=O)cccc1-c1ccc(C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.50
▸ HDAC8 Q9BY41 6/20 0.50
▸ HDAC1 Q13547 5/20 0.49
▸ HDAC3 O15379 4/20 0.44
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.42
▸ BCAT2 O15382 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL28262741 0.82 PARP1 (0.48) HDAC11BCAT2
SCHEMBL3034724 0.76 HDAC6 (0.48) HDAC6HDAC8HDAC1PDCD1CD274
SCHEMBL3028568 0.75 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC3PDCD1
SCHEMBL3628103 0.75 KDM4E (0.46) BCAT2
SCHEMBL3032639 0.75 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL3032162 0.74 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC3PDCD1
SCHEMBL3035678 0.74 HDAC6 (0.45) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL5405953 0.73 MKNK1 (0.42) BCAT2
SCHEMBL3031945 0.73 HDAC6 (0.48) HDAC6HDAC8HDAC1PDCD1CD274
SCHEMBL3034133 0.73 HDAC6 (0.49) HDAC6HDAC8HDAC1HDAC3PDCD1

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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 — — US claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 — — 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 HDAC6 31/4885HDAC8 7/4885HDAC1 5/4885

“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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