SCHEMBL3028810

SCHEMBL3028810

O=C(NO)c1ccc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.67
HDAC6 Q9UBN7 5/20 0.63
HDAC1 Q13547 5/20 0.63
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
F10 P00742 1/20 0.58
DEGS1 O15121 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MAOB P27338 1/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HDAC2 Q92769 2/20 0.51

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
SCHEMBL3035517 0.95 HDAC8 (0.68) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL674167 0.87 HDAC8 (0.69) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL3036973 0.84 MEN1 (0.61) HDAC8HDAC6NPC1RAB9AKMT2A
SCHEMBL3031316 0.84 HDAC2 (0.74) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL3029719 0.84 HDAC8 (0.62) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL3028795 0.81 HDAC6 (0.72) HDAC8HDAC6NPC1RAB9AKMT2A
SCHEMBL3036351 0.81 NPC1 (0.79) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL3018110 0.80 HDAC8 (0.62) HDAC8HDAC6HDAC1TP53HDAC2
SCHEMBL3024518 0.79 MEN1 (0.63) HDAC8HDAC6NPC1RAB9AKMT2A
SCHEMBL10939703 0.79 NPC1 (0.76) NPC1RAB9AKMT2AMEN1TDP1

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 HDAC8 7/4885HDAC6 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.