SCHEMBL3017757

SCHEMBL3017757

O=C(NO)c1ccc2cc(C(=O)NCC3CC3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.71
HDAC4 P56524 5/20 0.71
HDAC1 Q13547 5/20 0.71
HDAC7 Q8WUI4 5/20 0.71
HDAC2 Q92769 5/20 0.71
HDAC10 Q969S8 5/20 0.71
HDAC11 Q96DB2 5/20 0.71
HDAC8 Q9BY41 5/20 0.71
HDAC6 Q9UBN7 5/20 0.71
HDAC9 Q9UKV0 5/20 0.71
HDAC5 Q9UQL6 5/20 0.71
BCHE P06276 3/20 0.55
MAOB P27338 2/20 0.55
MAPK14 Q16539 6/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HSPB1 P04792 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK11 Q15759 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
SCHEMBL26928554 0.81 SMYD3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17483892 0.81 HDAC6 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10144838 0.79 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10175547 0.78 HDAC6 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5630219 0.77 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20954544 0.77 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24303432 0.76 MAPK14 (0.72) MAPK14HSPB1CYP2C9MAPK11
SCHEMBL22580635 0.76 MAPK14 (0.72) MAPK14HSPB1CYP2C9MAPK11
SCHEMBL5632191 0.76 MAPK14 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3037678 0.76 KMT2A (0.71) MEN1KMT2ACYP2C9

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 HDAC3 8/4885HDAC4 14/4885HDAC1 5/4885

“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.