SCHEMBL3017734

SCHEMBL3017734

O=C(NO)c1cccc(-c2cccc(C(=O)NCCc3cccc(Cl)c3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.65
HDAC6 Q9UBN7 4/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC3 O15379 2/20 0.65
HDAC4 P56524 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.63
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 1/20 0.62
MAPK1 P28482 2/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL3453939 0.95 HDAC1 (0.62) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL3028288 0.88 HDAC8 (0.67) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL3032709 0.87 HDAC1 (0.64) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL3031610 0.87 HDAC6 (0.63) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL3029792 0.87 HDAC8 (0.86) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL3023743 0.86 HDAC8 (0.60) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL3036988 0.86 HDAC1 (0.62) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL3026600 0.86 NPC1 (0.69) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL8218590 0.84 NPC1 (0.71) HDAC2HDAC6HDAC1HDAC8HDAC3
SCHEMBL5943847 0.82 HDAC8 (0.78) HDAC2HDAC6HDAC1HDAC8HDAC3

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 6 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
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 claimed
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 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 HDAC2 4/4885HDAC6 31/4885HDAC1 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.