SCHEMBL2473901

SCHEMBL2473901

CCCCCc1ccc(CNC(=O)c2ccc(-c3nc(CN(Cc4ccc(OCC(=O)O)cc4)C(=O)/C=C/c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
PPARA Q07869 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
KLKB1 P03952 3/20 0.40
POLB P06746 2/20 0.39
KLK1 P06870 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCD O00767 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
SCHEMBL2473905 1.00 TP53 (0.47) TP53MAPTALDH1A1CYSLTR1CYSLTR2
SCHEMBL14208378 0.94 MAPT (0.48) TP53MAPTALDH1A1CYSLTR1PPARA
SCHEMBL2469736 0.90 MAPT (0.46) TP53MAPTALDH1A1POLB
SCHEMBL2469743 0.90 MAPT (0.46) TP53MAPTALDH1A1POLB
SCHEMBL2469076 0.89 MAPT (0.42) TP53MAPTALDH1A1PPARAHDAC3
SCHEMBL2469090 0.89 MAPT (0.42) TP53MAPTALDH1A1PPARAHDAC3
SCHEMBL2472568 0.89 TP53 (0.49) TP53MAPTALDH1A1CYSLTR1PPARA
SCHEMBL5100835 0.86 MAPT (0.47) TP53MAPTALDH1A1CYSLTR1PPARA
SCHEMBL2468727 0.84 TP53 (0.50) TP53MAPTALDH1A1PPARAEPHX2
SCHEMBL5094343 0.83 MAPT (0.56) TP53MAPTALDH1A1CYSLTR1PPARA

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
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

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 TP53 1795/4885MAPT 4883/4885ALDH1A1 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.