SCHEMBL3018085

SCHEMBL3018085

COc1ccc(NC(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.61
PLAT P00750 5/20 0.61
GAA P10253 2/20 0.60
POLB P06746 1/20 0.60
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KLK1 P06870 2/20 0.55
KLK5 Q9Y337 2/20 0.55
PLG P00747 2/20 0.52
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PNLIP P16233 1/20 0.51
F2 P00734 2/20 0.49
F10 P00742 2/20 0.49
PPARG P37231 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL3028833 0.89 KDM4E (0.64) PLAUPLATGAANPC1RAB9A
SCHEMBL3025996 0.84 RAB9A (0.57) GAANPC1RAB9AMEN1KMT2A
SCHEMBL3018099 0.81 PLAU (0.61) PLAUPLATNPC1RAB9AMEN1
SCHEMBL27779618 0.81 HDAC4 (0.58) GAAPOLBMEN1KMT2AALOX15
SCHEMBL3025881 0.78 RAB9A (0.61) RAB9AKMT2APPARGKDM4EALDH1A1
SCHEMBL7087225 0.77 GAA (0.76) GAAPOLBNPC1RAB9AMEN1
SCHEMBL3028544 0.77 PLAU (0.55) PLAUPLATGAAPOLBNPC1
SCHEMBL3037265 0.76 CA1 (0.56) POLBRAB9ACA1CA2KDM4E
SCHEMBL31393767 0.76 GAA (0.89) GAAPOLBNPC1RAB9AMEN1
SCHEMBL8715012 0.76 GAA (0.89) GAAPOLBNPC1RAB9AMEN1

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 PLAU 4510/4885PLAT 3326/4885GAA 2554/4885

“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.