SCHEMBL3032563

SCHEMBL3032563

COc1cc(CCNC(=O)c2ccc3cc(C(=O)NO)ccc3c2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
HDAC2 Q92769 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL3028816 0.90 RAB9A (0.63) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL3035750 0.87 MAPT (0.61) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL3018285 0.86 HDAC1 (0.63) NAMPTHDAC2HDAC8HDAC6HDAC1
SCHEMBL3034285 0.86 HDAC8 (0.59) NAMPTHDAC2HDAC8HDAC6HDAC1
SCHEMBL3034726 0.82 GAA (0.56) HDAC8HDAC6HDAC1RAB9ANPC1
SCHEMBL3018090 0.81 GAA (0.61) HDAC8HDAC6HDAC1RAB9ANPC1
SCHEMBL3454460 0.81 HDAC2 (0.80) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL6570625 0.81 RAB9A (0.70) HDAC2HDAC8HDAC6HDAC1RAB9A
SCHEMBL3037525 0.80 HDAC6 (0.60) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL3028189 0.78 NPC1 (0.63) HDAC2HDAC8HDAC6HDAC1HDAC3

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
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 claimed
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 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

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 NAMPT 347/4885HDAC2 4/4885HDAC8 7/4885

“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.