SCHEMBL3035972

SCHEMBL3035972

O=C(NO)c1ccc(-c2ccc(C(=O)NCc3csc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC2 Q92769 2/20 0.65
HDAC3 O15379 1/20 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
HPGD P15428 2/20 0.61
NPC1 O15118 5/20 0.59
KDM4E B2RXH2 2/20 0.59
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
ROCK2 O75116 3/20 0.53

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
SCHEMBL3039261 0.90 HPGD (0.59) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL3028643 0.89 HPGD (0.58) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL6386658 0.80 HDAC6 (1.00) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL3025457 0.78 HDAC6 (0.91) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL17261498 0.76 MAPT (0.74) HPGDRAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3035150 0.74 MEN1 (0.54) HPGDNPC1KDM4ERAB9ALMNA
SCHEMBL298858 0.74 KDM4E (1.00) HPGDNPC1KDM4ERAB9AMAPT
SCHEMBL13485792 0.74 HDAC1 (0.74) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL2143958 0.74 HDAC1 (0.74) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL3035055 0.74 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC2HDAC3

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 31/4885HDAC8 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.