SCHEMBL3028189

SCHEMBL3028189

O=C(NO)c1ccc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MAPT P10636 3/20 0.63
GAA P10253 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
GFER P55789 1/20 0.63
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HDAC2 Q92769 5/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58

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
SCHEMBL3038811 0.96 NPC1 (0.62) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL3037525 0.87 HDAC6 (0.60) NPC1RAB9AHDAC2HDAC6HDAC8
SCHEMBL3018128 0.86 HDAC6 (0.61) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL3034071 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2412199 0.86 HDAC1 (0.75) NPC1RAB9AHDAC2HDAC6HDAC8
SCHEMBL3018104 0.86 MCHR1 (0.77) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL3036931 0.86 HDAC8 (0.74) RAB9ASMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL3454460 0.86 HDAC2 (0.80) NPC1RAB9AKMT2AMEN1HDAC2
SCHEMBL3032709 0.85 HDAC1 (0.64) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL3028288 0.84 HDAC8 (0.67) NPC1RAB9AMAPTGAASMN1; SMN2

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 NPC1 2497/4885RAB9A 4531/4885MAPT 974/4885

“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.