SCHEMBL3034522

SCHEMBL3034522

O=C(NO)c1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.72
RXFP1 Q9HBX9 4/20 0.69
KCNK3 O14649 2/20 0.63
HDAC3 O15379 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
LMNA P02545 2/20 0.62
P2RX1 P51575 1/20 0.62
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
RAB9A P51151 2/20 0.60
PLG P00747 2/20 0.60
PLAU P00749 2/20 0.60
PLAT P00750 2/20 0.60
PTGS1 P23219 1/20 0.60
HTT P42858 1/20 0.60
POLB P06746 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
TSHR P16473 1/20 0.57
NPC1 O15118 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
SCHEMBL3036039 0.96 MAPT (0.70) MAPTRXFP1KCNK3HDAC3HDAC8
SCHEMBL3033881 0.88 MAPT (0.69) MAPTRXFP1KCNK3HDAC3HDAC8
SCHEMBL15094033 0.87 MAPT (0.78) MAPTRXFP1KCNK3HDAC3HDAC8
SCHEMBL3028309 0.86 MAPT (0.76) MAPTRXFP1KCNK3HDAC3HDAC8
SCHEMBL24141032 0.85 MAPT (0.84) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL3455275 0.84 PLAU (0.71) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL4286068 0.84 MAPT (0.94) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL23447711 0.84 MAPT (0.82) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL7947175 0.84 RXFP1 (0.69) MAPTRXFP1KCNK3LMNAP2RX1
SCHEMBL3036033 0.83 HDAC3 (0.59) MAPTRXFP1HDAC3HDAC8HDAC6

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 MAPT 974/4885RXFP1 3843/4885KCNK3 2723/4885

“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.