SCHEMBL3028833

SCHEMBL3028833

COc1cccc(NC(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
GAA P10253 2/20 0.64
TRPV1 Q8NER1 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
RXFP1 Q9HBX9 1/20 0.53
PLAU P00749 3/20 0.53
PLAT P00750 2/20 0.53
PLG P00747 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 2/20 0.52

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
SCHEMBL3018085 0.89 PLAU (0.61) KDM4EGAANPC1RAB9AKMT2A
SCHEMBL3025881 0.83 RAB9A (0.61) KDM4ERAB9AKMT2AALDH1A1LMNA
SCHEMBL3037265 0.81 CA1 (0.56) KDM4ERAB9AALDH1A1HPGD
SCHEMBL3036995 0.80 P2RX1 (0.58) KMT2AMEN1MAPTRXFP1PLAU
SCHEMBL3025996 0.78 RAB9A (0.57) GAANPC1RAB9AKMT2AALDH1A1
SCHEMBL3028544 0.77 PLAU (0.55) KDM4EGAATRPV1NPC1RAB9A
SCHEMBL3018099 0.75 PLAU (0.61) TRPV1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10055020 0.75 NPC1 (0.94) TRPV1NPC1RAB9AKMT2AALDH1A1
SCHEMBL27779618 0.74 HDAC4 (0.58) GAAKMT2ASMN1; SMN2PKMMEN1
SCHEMBL4620913 0.74 TRPV1 (0.71) KDM4EGAATRPV1NPC1RAB9A

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 KDM4E 295/4885GAA 2554/4885TRPV1 1079/4885

“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.