SCHEMBL3023831

SCHEMBL3023831

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC1 Q13547 5/20 0.45
▸ PLAU P00749 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ C3AR1 Q16581 1/20 0.42
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ SERPINE1 P05121 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ BCAT2 O15382 1/20 0.40

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
SCHEMBL3031945 0.85 HDAC6 (0.48) HDAC6HDAC8HDAC1PDCD1CD274
SCHEMBL3028568 0.82 HDAC6 (0.50) HDAC6HDAC8HDAC1PDCD1CD274
SCHEMBL3034724 0.81 HDAC6 (0.48) HDAC6HDAC8HDAC1NPC1RAB9A
SCHEMBL3026062 0.79 HDAC1 (0.52) HDAC6HDAC8HDAC1PARP1
SCHEMBL5943946 0.78 HDAC6 (0.61) HDAC6HDAC8HDAC1PLAUPARP1
SCHEMBL3017472 0.78 HDAC1 (0.53) HDAC6HDAC8HDAC1PARP1
SCHEMBL27922044 0.78 PARP1 (0.55) NPC1RAB9APARP1BCAT2
SCHEMBL8817729 0.74 PARP1 (0.47) PARP1
SCHEMBL3034462 0.73 HDAC1 (0.47) HDAC6HDAC8HDAC1PARP1
SCHEMBL3033958 0.73 HDAC6 (0.50) HDAC6HDAC8HDAC1PDCD1CD274

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 31/4885HDAC8 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.

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