SCHEMBL3025882

SCHEMBL3025882

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.61
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
AOC3 Q16853 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
PARP1 P09874 1/20 0.49
ABHD6 Q9BV23 1/20 0.48
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
CHEK2 O96017 1/20 0.47
AURKA O14965 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
PRKCZ Q05513 1/20 0.46
HSD17B1 P14061 1/20 0.46

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
SCHEMBL3025997 0.90 HPGD (0.58) HSD17B2AOC3HPGDLMNATSHR
SCHEMBL3037268 0.89 HSD17B2 (0.54) HSD17B2PTGESALOX5AOC3HPGD
SCHEMBL3031503 0.86 PARP1 (0.54) HSD17B2PTGESALOX5HPGDPARP1
SCHEMBL3028837 0.81 HSD17B2 (0.60) HSD17B2PTGESALOX5HPGDLMNA
SCHEMBL3034655 0.80 MAOB (0.52) HSD17B2AOC3ABHD6PLGPLAU
SCHEMBL15485186 0.79 HSD17B2 (0.82) HSD17B2PTGESALOX5HPGDLMNA
SCHEMBL30958376 0.79 PLAU (0.67) HSD17B2PARP1PLGPLAUPLAT
SCHEMBL4995249 0.79 PLAU (0.67) HSD17B2PARP1PLGPLAUPLAT
SCHEMBL3037021 0.79 MKNK1 (0.54) HSD17B2AOC3ABHD6CHEK2HSD17B1
SCHEMBL12496881 0.78 HSD17B2 (0.80) HSD17B2PTGESALOX5HPGDPOLB

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 HSD17B2 892/4885PTGES 882/4885ALOX5 1486/4885

“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.