SCHEMBL3033853

SCHEMBL3033853

O=C(NO)c1cccc(-c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.78
RAB9A P51151 14/20 0.73
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAOB P27338 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL3033609 0.84 NPC1 (0.69) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL30926503 0.80 RAB9A (0.85) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL27181112 0.80 RAB9A (0.85) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL5174923 0.80 NPC1 (0.84) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL5943879 0.79 MAPT (0.70) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL23114368 0.79 RAB9A (0.91) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL5171565 0.77 RAB9A (1.00) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL5173569 0.76 NPC1 (0.60) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL6359719 0.76 RAB9A (0.61) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL21780052 0.75 RAB9A (0.76) NPC1RAB9AMEN1KMT2AMAOB

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 NPC1 2497/4885RAB9A 4531/4885MEN1 2346/4885

“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.