SCHEMBL3018087

SCHEMBL3018087

COc1ccc(N(O)C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 2/20 0.56
MAP4K4 O95819 1/20 0.52
PARP10 Q53GL7 2/20 0.51
PARP1 P09874 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
PARP4 Q9UKK3 1/20 0.51
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B2 P37059 1/20 0.49
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL3028837 0.89 HSD17B2 (0.60) HPGDLMNATSHRKDM4EMAP4K4
SCHEMBL3720494 0.83 PARP1 (0.67) HPGDLMNATSHRKDM4EMAP4K4
SCHEMBL3025997 0.82 HPGD (0.58) HPGDLMNATSHRKDM4EMAP4K4
SCHEMBL3018101 0.81 DHODH (0.57) PLGPLAUPLAT
SCHEMBL12469448 0.79 HPGD (0.70) HPGDLMNATSHRKDM4ECYP1A2
SCHEMBL20057645 0.77 HPGD (0.72) HPGDLMNATSHRKDM4ECYP1A2
SCHEMBL4995249 0.77 PLAU (0.67) MAP4K4PARP10PARP1CA1CA2
SCHEMBL30958376 0.77 PLAU (0.67) MAP4K4PARP10PARP1CA1CA2
SCHEMBL3025882 0.77 HSD17B2 (0.61) HPGDLMNATSHRPARP1POLB
SCHEMBL7442028 0.77 PARP10 (0.88) MAP4K4PARP10PARP1CA1CA2

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 HPGD 188/4885LMNA 1918/4885TSHR 2036/4885

“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.