SCHEMBL3034724

SCHEMBL3034724

NC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ AGTR1 P30556 1/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 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 0.89 HDAC6 (0.48) HDAC6HDAC8ALDH1A1MAPTL3MBTL1
SCHEMBL30370009 0.82 BCAT2 (0.57) MAPTSLC6A4SLC6A3PDCD1CD274
SCHEMBL3035678 0.82 HDAC6 (0.45) HDAC6HDAC8ALDH1A1MAPTL3MBTL1
SCHEMBL3023831 0.81 HDAC6 (0.46) HDAC6HDAC8HDAC1PDCD1CD274
SCHEMBL3037600 0.81 HDAC1 (0.47) HDAC6HDAC8ALDH1A1MAPTL3MBTL1
SCHEMBL3028568 0.81 HDAC6 (0.50) HDAC6HDAC8HDAC1PDCD1CD274
SCHEMBL27940786 0.78 IKBKB (0.47) HDAC6ALDH1A1MAPTSLC6A4SLC6A3
SCHEMBL3033958 0.76 HDAC6 (0.50) HDAC6HDAC8HDAC1PDCD1CD274
SCHEMBL3029944 0.75 HDAC6 (0.44) HDAC6HDAC8ALDH1A1MAPTL3MBTL1
SCHEMBL3029955 0.74 HDAC6 (0.43) HDAC6HDAC8ALDH1A1MAPTL3MBTL1

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 7/4885ALDH1A1 1419/4885

“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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