SCHEMBL3029960

SCHEMBL3029960

CNC(=O)c1ccc2cc(C(=O)OC)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.66
PLAU P00749 7/20 0.62
PLK1 P53350 2/20 0.56
LCK P06239 1/20 0.54
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
XDH P47989 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HPGDS O60760 1/20 0.51
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL29365729 0.88 PTPN11 (0.68) PTPN11PLAULCKHTTHPGD
SCHEMBL69025 0.88 PTPN11 (0.68) PTPN11PLAULCKHTTHPGD
SCHEMBL8732524 0.86 PTPN11 (0.66) PTPN11PLAULCKHTTHPGD
SCHEMBL3037608 0.85 PTPN11 (0.66) PTPN11PLAULCKCA1CA2
SCHEMBL9979782 0.84 PTPN11 (0.64) PTPN11PLAULCKHTTHPGD
SCHEMBL4189157 0.84 MAPT (0.70) PTPN11PLAULCKHPGDCA1
SCHEMBL30860438 0.83 HDAC8 (0.67) PTPN11PLAUHPGDTSHRSMN1; SMN2
SCHEMBL27740568 0.83 PTPN11 (0.58) PTPN11PLAULCKHTTHPGD
SCHEMBL7025048 0.83 HDAC8 (0.67) PTPN11PLAUHPGDTSHRSMN1; SMN2
SCHEMBL26885173 0.82 PTPN11 (0.62) PTPN11PLAULCKHTTHPGD

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 3 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 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 PTPN11 1048/4885PLAU 4510/4885PLK1 3455/4885

“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.