SCHEMBL5094343

SCHEMBL5094343

CCCCCc1ccc(CNC(=O)c2ccc(-c3nc(CNCc4ccc(OCC(=O)O)cc4)cs3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TP53 P04637 3/20 0.56
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PPARA Q07869 1/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
PTPRC P08575 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN1 P18031 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
PPP1CC P36873 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
KLKB1 P03952 2/20 0.43
KLK1 P06870 1/20 0.43

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
SCHEMBL14208442 0.92 MAPT (0.57) MAPTTP53ALDH1A1PPARALMNA
SCHEMBL2466239 0.87 MAPT (0.50) MAPTTP53NR1H4ALDH1A1PPARA
SCHEMBL6031787 0.87 TP53 (0.50) MAPTTP53PPARALMNATRPV1
SCHEMBL6031779 0.87 TP53 (0.50) MAPTTP53ALDH1A1PPARALMNA
SCHEMBL5100823 0.86 TP53 (0.50) MAPTTP53EPHX2NR1H4ALDH1A1
SCHEMBL2472568 0.85 TP53 (0.49) MAPTTP53EPHX2NR1H4ALDH1A1
SCHEMBL6032070 0.84 TP53 (0.48) MAPTTP53EPHX2NR1H4ALDH1A1
SCHEMBL4964646 0.84 MAPT (0.48) MAPTTP53EPHX2NR1H4ALDH1A1
SCHEMBL2468727 0.84 TP53 (0.50) MAPTTP53EPHX2NR1H4ALDH1A1
SCHEMBL2473901 0.83 TP53 (0.47) MAPTTP53EPHX2NR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4883/4885TP53 1795/4885EPHX2 1699/4885

“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.