SCHEMBL1734794

SCHEMBL1734794

CCCCCCCCNC(=O)c1ccc(-c2nc(CN(Cc3ccc(OCC(=O)O)cc3)C(=O)CCc3ccccc3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
TP53 P04637 5/20 0.53
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2471479 0.95 MAPT (0.49) MAPTTP53ALDH1A1POLBNPC1
SCHEMBL2472568 0.93 TP53 (0.49) MAPTTP53ALDH1A1POLBNPC1
SCHEMBL2470655 0.90 MAPT (0.49) MAPTTP53ALDH1A1POLBNPC1
SCHEMBL2466069 0.86 ALDH1A1 (0.47) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2472074 0.85 TP53 (0.53) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2469736 0.84 MAPT (0.46) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2471727 0.84 TP53 (0.50) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2469743 0.84 MAPT (0.46) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2473831 0.83 MAPT (0.45) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2473905 0.81 TP53 (0.47) MAPTTP53ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP claimed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US claimed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US claimed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 US claimed
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP claimed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO claimed
EP-1904048-B1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS MERCK SERONO SA (CH) 2011-11-23 EP disclosed
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP disclosed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 US disclosed
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP disclosed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 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 (2 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-20060189583-A1 Aryl dicarboxamides GPR119, PTPRS, ECHS1 MAPT 4883/4885TP53 1795/4885ALDH1A1 1704/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA MAPT 2586/4885TP53 3050/4885ALDH1A1 1781/4885

“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.