SCHEMBL3035153

SCHEMBL3035153

NC(=O)c1ccc(-c2cccc(C(=O)N(O)Cc3csc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 4/20 0.44
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
AVPR1B P47901 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
AOC3 Q16853 2/20 0.41
KLKB1 P03952 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPK1 P28482 1/20 0.40
ABHD6 Q9BV23 1/20 0.40

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
SCHEMBL9261036 0.78 KDM4E (0.57) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL3037021 0.74 MKNK1 (0.54) AOC3MKNK1MKNK2ABHD6
SCHEMBL3028292 0.74 ENPP2 (0.48) MEN1KMT2ASLC6A9SLC6A5RAB9A
SCHEMBL3025997 0.72 HPGD (0.58) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL3018071 0.71 PLA2G10 (0.53) MEN1KMT2AMAPTAOC3MKNK1
SCHEMBL16603168 0.71 MEN1 (0.57) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL3025882 0.71 HSD17B2 (0.61) AOC3ABHD6
SCHEMBL3034655 0.71 MAOB (0.52) AOC3ABHD6
SCHEMBL3023740 0.70 RORC (0.47) AOC3MKNK1MKNK2
SCHEMBL14875870 0.70 MKNK1 (0.50) AOC3MKNK1MKNK2ABHD6

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 MEN1 2346/4885KMT2A 32/4885KDM4E 295/4885

“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.