SCHEMBL3018090

SCHEMBL3018090

COc1ccc(CCNC(=O)c2ccc3cc(C(=O)NO)ccc3c2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
XDH P47989 1/20 0.53
HDAC1 Q13547 3/20 0.53
KDM1A O60341 1/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CCR3 P51677 1/20 0.53
LMNA P02545 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL3034726 0.87 GAA (0.56) GAANPC1RAB9AXDHHDAC1
SCHEMBL3028083 0.87 HDAC1 (0.56) GAANPC1RAB9AHDAC1KDM1A
SCHEMBL3018128 0.86 HDAC6 (0.61) NPC1RAB9AHDAC1MAPTMEN1
SCHEMBL3028816 0.83 RAB9A (0.63) NPC1RAB9AHDAC1MAPTMEN1
SCHEMBL3035750 0.81 MAPT (0.61) NPC1RAB9AHDAC1MAPTMEN1
SCHEMBL3032563 0.81 NAMPT (0.55) NPC1RAB9AHDAC1MAPTHDAC8
SCHEMBL3028189 0.80 NPC1 (0.63) GAANPC1RAB9AHDAC1MAPT
SCHEMBL5753081 0.80 NPC1 (0.79) GAANPC1RAB9AHDAC1MAPT
SCHEMBL13210682 0.80 GAA (0.61) GAANPC1RAB9AMAPTMEN1
SCHEMBL10073038 0.79 GAA (0.77) GAANPC1RAB9AMAPTMEN1

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 GAA 2554/4885NPC1 2497/4885RAB9A 4531/4885

“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.