SCHEMBL3035540

SCHEMBL3035540

O=C(NO)c1ccc2cc(C(=O)NCc3ccc(F)c(F)c3)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.67
HDAC8 Q9BY41 8/20 0.67
HDAC1 Q13547 7/20 0.67
HDAC3 O15379 4/20 0.67
HDAC2 Q92769 4/20 0.67
HDAC4 P56524 3/20 0.67
HDAC7 Q8WUI4 3/20 0.67
HDAC11 Q96DB2 3/20 0.67
HDAC9 Q9UKV0 3/20 0.67
HDAC5 Q9UQL6 3/20 0.67
HDAC10 Q969S8 2/20 0.67
NR1H4 Q96RI1 2/20 0.53
PPARG P37231 1/20 0.53
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KDM1A O60341 1/20 0.48
PIN1 Q13526 1/20 0.48
EPHX2 P34913 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
SCHEMBL3039848 0.88 HDAC6 (0.62) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL3030027 0.86 HDAC6 (0.74) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL3026463 0.84 HDAC6 (0.58) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL3036931 0.83 HDAC8 (0.74) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL3035835 0.83 HDAC6 (0.66) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL3038051 0.82 HDAC6 (0.65) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL3024525 0.82 HDAC6 (0.72) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL3028724 0.81 HDAC6 (0.76) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL10207296 0.80 HDAC6 (1.00) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL14743597 0.80 PPARG (0.55) HDAC6HDAC8HDAC1HDAC3NR1H4

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 HDAC6 31/4885HDAC8 7/4885HDAC1 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.