SCHEMBL2469090

SCHEMBL2469090

CCCCCc1ccc(CNC(=O)c2ccc(-c3nc(CN(Cc4ccc(OC(C)C(=O)O)cc4)C(=O)C=Cc4ccccc4)cs3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
PPARA Q07869 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
KLKB1 P03952 2/20 0.39
ALDH1A1 P00352 2/20 0.39
AVPR1B P47901 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL2469076 1.00 MAPT (0.42) MAPTTP53PPARAHDAC3HDAC1
SCHEMBL2473905 0.89 TP53 (0.47) MAPTTP53PPARAHDAC3HDAC1
SCHEMBL2473901 0.89 TP53 (0.47) MAPTTP53PPARAHDAC3HDAC1
SCHEMBL14208378 0.88 MAPT (0.48) MAPTTP53PPARAHDAC3HDAC1
SCHEMBL2466239 0.83 MAPT (0.50) MAPTTP53PPARAKLKB1ALDH1A1
SCHEMBL2469743 0.79 MAPT (0.46) MAPTTP53ALDH1A1HTR1ADRD2
SCHEMBL2469736 0.79 MAPT (0.46) MAPTTP53ALDH1A1HTR1ADRD2
SCHEMBL5100835 0.78 MAPT (0.47) MAPTTP53PPARAKLKB1ALDH1A1
SCHEMBL2472568 0.78 TP53 (0.49) MAPTTP53PPARAKLKB1ALDH1A1
SCHEMBL2468727 0.74 TP53 (0.50) MAPTTP53PPARAALDH1A1

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 3 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-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 1795/4885PPARA 394/4885

“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.