SCHEMBL3028083

SCHEMBL3028083

COc1ccc(CCNC(=O)c2cccc(-c3cccc(C(=O)NO)c3)c2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
KDM1A O60341 1/20 0.56
GAA P10253 2/20 0.56
HDAC6 Q9UBN7 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK1 P28482 1/20 0.52
CCR3 P51677 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL3033626 0.88 HDAC8 (0.54) HDAC1GAAHDAC6HDAC8HDAC3
SCHEMBL3018090 0.87 GAA (0.61) HDAC1KDM1AGAAHDAC6HDAC8
SCHEMBL3023743 0.86 HDAC8 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL3035635 0.83 HDAC2 (0.62) HDAC1KDM1AHDAC6HDAC8HDAC3
SCHEMBL3028288 0.81 HDAC8 (0.67) HDAC1GAAHDAC6HDAC8HDAC3
SCHEMBL3034285 0.81 HDAC8 (0.59) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL3017734 0.80 HDAC2 (0.65) HDAC1GAAHDAC6HDAC8HDAC3
SCHEMBL5943749 0.79 SMN1; SMN2 (0.61) HDAC1KDM1AHDAC6HDAC8HDAC3
SCHEMBL1814208 0.78 GAA (0.55) GAAMAPTALDH1A1LMNA
SCHEMBL5753081 0.78 NPC1 (0.79) HDAC1GAAHDAC6HDAC8MAPT

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 HDAC1 5/4885KDM1A 35/4885GAA 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.