SCHEMBL6544227

SCHEMBL6544227

Cc1cc(C(=O)Nc2cc[c]cc2)cc(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.51
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51
NQO2 P16083 1/20 0.46
SNCA P37840 4/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
FKBP5 Q13451 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL22192261 0.83 NQO2 (0.68) TOP1TOP2ATOP2BNQO2SNCA
SCHEMBL12758272 0.83 NPC1 (0.57) TOP1TOP2ATOP2BNPC1RAB9A
SCHEMBL21625694 0.82 TOP1 (0.52) TOP1TOP2ATOP2BNQO2SNCA
SCHEMBL6544007 0.81 GAA (0.50) TOP1TOP2ATOP2BNQO2SNCA
SCHEMBL4188342 0.78 NPC1 (0.52) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL7641335 0.77 RAB9A (0.75) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL13210692 0.77 GAA (0.58) TOP1TOP2ATOP2BNQO2SNCA
SCHEMBL28263858 0.76 POLB (0.52) TOP1TOP2ATOP2BNQO2SNCA
SCHEMBL5233627 0.75 KCNK3 (0.71) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL17977272 0.75 NQO2 (0.61) TOP1NQO2SNCANPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 TOP1 1113/4885TOP2A 595/4885TOP2B 604/4885

“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.