SCHEMBL3034646

SCHEMBL3034646

O=C(NO)c1ccc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.83
HIF1A Q16665 1/20 0.63
HDAC1 Q13547 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC3 O15379 2/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
SCN2A Q99250 1/20 0.60
SCN10A Q9Y5Y9 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL3590191 0.85 SMN1; SMN2 (0.73) SMN1; SMN2HIF1AL3MBTL1KMT2AMEN1
SCHEMBL3030085 0.85 HDAC8 (0.61) SMN1; SMN2HDAC1HDAC6HDAC2HDAC8
SCHEMBL2912570 0.84 SMN1; SMN2 (0.82) SMN1; SMN2HIF1AL3MBTL1KMT2AMEN1
SCHEMBL13947384 0.82 SMN1; SMN2 (0.73) SMN1; SMN2L3MBTL1KMT2AMEN1NPC1
SCHEMBL14531874 0.82 SMN1; SMN2 (0.73) SMN1; SMN2HIF1AL3MBTL1KMT2AMEN1
SCHEMBL95008 0.82 SMN1; SMN2 (0.73) SMN1; SMN2HIF1AL3MBTL1KMT2AMEN1
SCHEMBL28649262 0.79 SMN1; SMN2 (0.69) SMN1; SMN2HIF1AL3MBTL1KMT2AMEN1
SCHEMBL1568246 0.79 SMN1; SMN2 (0.68) SMN1; SMN2SCN2ASCN10AL3MBTL1KMT2A
SCHEMBL3025457 0.78 HDAC6 (0.91) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL8160653 0.78 HIF1A (1.00) SMN1; SMN2HIF1AL3MBTL1KMT2AMEN1

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
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

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 SMN1; SMN2 921/4885HIF1A 793/4885HDAC1 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.