SCHEMBL13249809

SCHEMBL13249809

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OCc1ccccc1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 2/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
LMNA P02545 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
SCHEMBL13328936 0.93 TP53 (0.44) TP53ALDH1A1MAPTGAAL3MBTL1
SCHEMBL13249802 0.88 KDR (0.45) TP53ALDH1A1MAPTGAAPTGDR2
SCHEMBL13249786 0.88 TSHR (0.45) TP53ALDH1A1MAPTGAALMNA
SCHEMBL13249923 0.86 P2RX7 (0.41) TP53ALDH1A1MAPTP2RX7PTGDR2
SCHEMBL13249808 0.85 TP53 (0.39) TP53ALDH1A1MAPTGAAP2RX7
SCHEMBL13249798 0.84 PPARG (0.41) TP53ALDH1A1MAPTGAALMNA
SCHEMBL13249789 0.84 PPARG (0.42) TP53ALDH1A1GAAPTGDR2LMNA
SCHEMBL13249799 0.84 TP53 (0.40) TP53ALDH1A1GAAL3MBTL1PTGDR2
SCHEMBL13249793 0.84 TP53 (0.38) TP53ALDH1A1GAAPTGDR2LMNA
SCHEMBL13249792 0.84 PPARG (0.40) TP53ALDH1A1MAPTGAALMNA

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 TP53 4768/4885ALDH1A1 973/4885MAPT 4683/4885

“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.