SCHEMBL2469743

SCHEMBL2469743

O=C(O)COc1ccc(CN(Cc2csc(-c3ccc(C(=O)NCCCCc4ccccc4)cc3)n2)C(=O)C=Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TP53 P04637 4/20 0.46
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.41
HTR5A P47898 3/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
PTAFR P25105 1/20 0.39
LPAR1 Q92633 1/20 0.38

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
SCHEMBL2469736 1.00 MAPT (0.46) MAPTTP53ALDH1A1POLBHTR5A
SCHEMBL2473905 0.90 TP53 (0.47) MAPTTP53ALDH1A1POLB
SCHEMBL2473901 0.90 TP53 (0.47) MAPTTP53ALDH1A1POLB
SCHEMBL2471479 0.89 MAPT (0.49) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2470655 0.87 MAPT (0.49) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2471727 0.85 TP53 (0.50) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL2473831 0.85 MAPT (0.45) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL14208378 0.85 MAPT (0.48) MAPTTP53ALDH1A1POLBHTR5A
SCHEMBL1734794 0.84 MAPT (0.53) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL5100829 0.83 PTPN1 (0.44) MAPTTP53ALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US 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-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 1795/4885ALDH1A1 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.