Sugi Predict

Sugi Predict / Compounds / SCHEMBL3028837

SCHEMBL3028837

SCHEMBL3028837

COc1cccc(N(O)C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 7/20 0.60
▸ PARP1 P09874 2/20 0.52
▸ HSD17B1 P14061 4/20 0.52
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PLAU P00749 2/20 0.50
▸ PLAT P00750 2/20 0.50
▸ PLG P00747 1/20 0.50
▸ CHEK2 O96017 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL3018087 0.89 HPGD (0.58) HSD17B2PARP1HPGDLMNATSHR
SCHEMBL4995249 0.82 PLAU (0.67) HSD17B2PARP1PLAUPLATPLG
SCHEMBL30958376 0.82 PLAU (0.67) HSD17B2PARP1PLAUPLATPLG
SCHEMBL3025882 0.81 HSD17B2 (0.61) HSD17B2PARP1HSD17B1HPGDLMNA
SCHEMBL3037268 0.79 HSD17B2 (0.54) HSD17B2PARP1HPGDLMNATSHR
SCHEMBL3037000 0.79 DHODH (0.50) PARP1PLAUPLATPLGKDM4E
SCHEMBL12688050 0.78 HSD17B2 (0.87) HSD17B2HSD17B1HPGDLMNATSHR
SCHEMBL1690557 0.77 PARP1 (0.80) HSD17B2PARP1PLAUPLATPLG
SCHEMBL3028547 0.77 MKNK1 (0.58) CHEK2MKNK1MKNK2
SCHEMBL3025997 0.77 HPGD (0.58) HSD17B2PARP1HPGDLMNATSHR

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 HSD17B2 892/4885PARP1 957/4885HSD17B1 579/4885

“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.