SCHEMBL3029955

SCHEMBL3029955

NC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1CCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.43
▸ HDAC1 Q13547 6/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ CDC7 O00311 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ BRS3 P32247 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL3029944 0.90 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC11CDC7
SCHEMBL3037600 0.89 HDAC1 (0.47) HDAC6HDAC1HDAC8HDAC11SIRT2
SCHEMBL3017472 0.87 HDAC1 (0.53) HDAC6HDAC1HDAC8SIRT2MAPK8
SCHEMBL3034462 0.82 HDAC1 (0.47) HDAC6HDAC1HDAC8ALDH1A1
SCHEMBL3035678 0.81 HDAC6 (0.45) HDAC6HDAC1HDAC8HDAC11ALDH1A1
SCHEMBL3031945 0.78 HDAC6 (0.48) HDAC6HDAC1HDAC8MAP4K4ALDH1A1
SCHEMBL3453784 0.78 HDAC1 (0.47) HDAC6HDAC1SIRT2MAPK8BRS3
SCHEMBL3026062 0.77 HDAC1 (0.52) HDAC6HDAC1HDAC8MAPK8BRS3
SCHEMBL3032639 0.75 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC11
SCHEMBL3028529 0.74 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC11MAPT

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 2 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

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 31/4885HDAC1 5/4885HDAC8 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.

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