SCHEMBL3032639

SCHEMBL3032639

NC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1Cc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ OGG1 O15527 1/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL3035678 0.89 HDAC6 (0.45) HDAC6HDAC3NCOR2HDAC8HDAC1
SCHEMBL3024501 0.83 HDAC6 (0.41) HDAC6HDAC3NCOR2HDAC8HDAC1
SCHEMBL3029944 0.83 HDAC6 (0.44) HDAC6HDAC3NCOR2HDAC8HDAC1
SCHEMBL3026062 0.83 HDAC1 (0.52) HDAC6HDAC3NCOR2HDAC8PARP1
SCHEMBL3034462 0.79 HDAC1 (0.47) HDAC6HDAC3NCOR2HDAC8PARP1
SCHEMBL3037600 0.79 HDAC1 (0.47) HDAC6HDAC3NCOR2HDAC8HDAC1
SCHEMBL27892889 0.79 AURKA (0.46) PARP1PARP2
SCHEMBL3017472 0.75 HDAC1 (0.53) HDAC6HDAC3NCOR2HDAC8PARP1
SCHEMBL3029955 0.75 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC11
SCHEMBL3033958 0.75 HDAC6 (0.50) HDAC6HDAC3NCOR2HDAC8HDAC1

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 31/4885HDAC3 8/4885NCOR2 234/4885

“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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