SCHEMBL3038760

SCHEMBL3038760

O=C(NO)c1ccc(-c2ccc(C(=O)NCc3ccoc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.62
▸ HDAC1 Q13547 10/20 0.62
▸ HDAC8 Q9BY41 8/20 0.62
▸ HDAC3 O15379 6/20 0.62
▸ HDAC2 Q92769 5/20 0.62
▸ HDAC4 P56524 4/20 0.62
▸ HDAC7 Q8WUI4 4/20 0.62
▸ HDAC11 Q96DB2 4/20 0.62
▸ HDAC9 Q9UKV0 4/20 0.62
▸ HDAC5 Q9UQL6 4/20 0.62
▸ HDAC10 Q969S8 3/20 0.62
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NAMPT P43490 1/20 0.52
▸ PTGER2 P43116 3/20 0.52
▸ KDM1A O60341 2/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ ROCK2 O75116 1/20 0.47

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
SCHEMBL3038848 0.85 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3025457 0.78 HDAC6 (0.91) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL6386658 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL29818213 0.74 LMNA (0.57) HDAC6HDAC8HDAC2USP2ALDH1A1
SCHEMBL31324434 0.73 CA1 (0.63) USP2ALDH1A1HTTNAMPTROCK2
SCHEMBL25060935 0.73 HDAC1 (0.75) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL6570908 0.73 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3031939 0.72 NPC1 (0.80) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL5943942 0.71 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3028316 0.71 HDAC1 (0.71) HDAC6HDAC1HDAC8HDAC3HDAC2

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 4 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
EP-2205070-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP disclosed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 — — WO 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 31/4885HDAC1 5/4885HDAC8 7/4885

“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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