SCHEMBL13249798

SCHEMBL13249798

CCCOC(=O)N1CCc2c(nc(C)n(C(c3ccccc3)c3ccccc3)c2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
TP53 P04637 3/20 0.40
PPARD Q03181 1/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 3/20 0.38
WEE1 P30291 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL13249799 0.95 TP53 (0.40) PPARGPPARATP53PPARDTSHR
SCHEMBL13249786 0.94 TSHR (0.45) TP53TSHRGAALMNAALDH1A1
SCHEMBL13249796 0.94 P2RY12 (0.39) TP53TSHRGAALMNASMN1; SMN2
SCHEMBL13328901 0.92 PPARG (0.41) PPARGPPARATP53PPARDTSHR
SCHEMBL13249793 0.91 TP53 (0.38) PPARGPPARATP53TSHRGAA
SCHEMBL13249788 0.91 TP53 (0.38) TP53TSHRGAALMNAALDH1A1
SCHEMBL13249949 0.89 TP53 (0.38) TP53TSHRGAALMNAALDH1A1
SCHEMBL13249789 0.89 PPARG (0.42) PPARGPPARATP53TSHRGAA
SCHEMBL13249802 0.89 KDR (0.45) TP53GAAALDH1A1MAPTMEN1
SCHEMBL13328904 0.88 MTHFD2 (0.39) PPARGPPARATP53PPARDTSHR

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 PPARG 22/4885PPARA 43/4885TP53 4768/4885

“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.