SCHEMBL3038840

SCHEMBL3038840

O=C(NO)c1ccc(-c2ccc(C(=O)Nc3cccnc3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.81
RAB9A P51151 6/20 0.81
NPC1 O15118 5/20 0.81
LMNA P02545 2/20 0.81
GAA P10253 1/20 0.81
CYP11B1 P15538 5/20 0.73
CYP11B2 P19099 5/20 0.73
HIF1A Q16665 1/20 0.67
TRPV1 Q8NER1 2/20 0.63
TP53 P04637 1/20 0.62
RECQL P46063 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL14082510 0.89 NAMPT (0.88) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL5944173 0.85 KCNK3 (0.67) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL6354168 0.84 CYP11B1 (1.00) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL3017773 0.84 CYP11B1 (0.63) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL1109339 0.84 MKNK1 (0.73) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL5435462 0.83 NAMPT (0.76) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL3642636 0.83 NAMPT (0.81) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL28007807 0.82 NAMPT (0.81) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL167081 0.82 NAMPT (1.00) NAMPTRAB9ANPC1LMNAGAA
SCHEMBL14082506 0.82 NAMPT (0.86) NAMPTRAB9ANPC1LMNAGAA

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 NAMPT 347/4885RAB9A 4531/4885NPC1 2497/4885

“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.