SCHEMBL14830556

SCHEMBL14830556

O=C1C(=O)N(c2ccccc2)c2cccc(I)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
CES2 O00748 1/20 0.56
BCHE P06276 1/20 0.56
CES1 P23141 1/20 0.56
MGLL Q99685 2/20 0.42
HSPA1A P0DMV8 1/20 0.40
PABPC1 P11940 1/20 0.40
PDE6D O43924 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TGM2 P21980 1/20 0.36
GRK5 P34947 1/20 0.35
TYRO3 Q06418 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
RORC P51449 2/20 0.35
GALR3 O60755 1/20 0.35

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
SCHEMBL5703450 0.79 ALDH1A1 (0.56) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL1901735 0.78 ALDH1A1 (0.64) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL28339973 0.76 L3MBTL1 (0.54) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL15206754 0.73 TTR (0.50) ALDH1A1CES1MGLLHPGDMAPT
SCHEMBL2309802 0.72 MGLL (0.35) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL14830506 0.72 CES2 (0.47) NPSR1ALDH1A1GAACES2BCHE
Phenyl Isatin SCHEMBL916808 0.72 CES1 (1.00) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL3910501 0.71 GAA (0.50) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL28339974 0.68 CES2 (0.42) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL9330167 0.67 ALDH1A1 (0.45) NPSR1ALDH1A1GAACES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760840-B1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-8946430-B2 Quinolinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-03 US disclosed
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
EP-2760840-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013048942-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO 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 (2 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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL NPSR1 3341/4885ALDH1A1 440/4885GAA 43/4885
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL NPSR1 3341/4885ALDH1A1 440/4885GAA 43/4885

“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.