SCHEMBL2471394

SCHEMBL2471394

O=C(O)COc1ccc(CN(Cc2csc(-c3ccc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc3)n2)C(=O)C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PPARA Q07869 1/20 0.43
CPT1A P50416 3/20 0.42
CPT2 P23786 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KLKB1 P03952 2/20 0.41
MAPK14 Q16539 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
MMP13 P45452 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACKR3 P25106 1/20 0.39

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
SCHEMBL2468211 0.89 ALDH1A1 (0.49) ALDH1A1PPARAEPHX2NR1H4KLKB1
SCHEMBL2473831 0.88 MAPT (0.45) SLC6A9SLC6A5ALDH1A1CPT1ACPT2
SCHEMBL2466069 0.86 ALDH1A1 (0.47) ALDH1A1PPARAEPHX2NR1H4KLKB1
SCHEMBL5100796 0.84 MAPK14 (0.55) ALDH1A1PPARAEPHX2NR1H4KLKB1
SCHEMBL2472568 0.78 TP53 (0.49) ALDH1A1PPARAEPHX2NR1H4KLKB1
SCHEMBL6032464 0.76 SLC6A9 (0.42) SLC6A9SLC6A5LMNAHPGDMAPT
SCHEMBL6032467 0.76 ESRRG (0.43) SLC6A9SLC6A5SMN1; SMN2MAPTTP53
SCHEMBL6031864 0.76 ALDH1A1 (0.47) ALDH1A1PPARAEPHX2NR1H4KLKB1
SCHEMBL2473905 0.76 TP53 (0.47) ALDH1A1PPARAEPHX2NR1H4KLKB1
SCHEMBL2473901 0.76 TP53 (0.47) ALDH1A1PPARAEPHX2NR1H4KLKB1

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 12 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-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US 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-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP 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
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 (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-20060189583-A1 Aryl dicarboxamides GPR119, PTPRS, ECHS1 SLC6A9 2852/4885SLC6A5 2006/4885ALDH1A1 1704/4885

“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.