SCHEMBL7531348

SCHEMBL7531348

NCCCSc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MPI P34949 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
DAO P14920 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
GRM2 Q14416 2/20 0.34

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
SCHEMBL6815592 0.90 PNMT (0.47) KIF11PNMTTAAR1HTTNPSR1
SCHEMBL9515929 0.83 TDP1 (0.45) PNMTTAAR1MPIHTTNPSR1
SCHEMBL9040127 0.82 TDP1 (0.40) MPIHTTNPSR1TDP1DAO
SCHEMBL15960057 0.81 THRB (0.48) MPIHTTNPSR1TDP1SIGMAR1
SCHEMBL9478091 0.79 THRB (0.41) MPIHTTNPSR1TDP1DAO
SCHEMBL10915572 0.79 MPI (0.39) MPIHTTNPSR1TDP1DAO
SCHEMBL9866388 0.78 KDM4E (0.49) HTTTDP1MEN1KMT2ATSHR
SCHEMBL10410234 0.76 CDK1 (0.45) MPIHTTNPSR1TDP1DAO
Hydrochloric Acid SCHEMBL2345711 0.76 KDM4E (0.47) HTTTDP1MEN1KMT2ATSHR
SCHEMBL4271572 0.75 ALDH1A1 (0.59) MPIHTTNPSR1TDP1DAO

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760834-B1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2760834-B1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2760829-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-18 EP disclosed
EP-2760829-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-18 EP disclosed
US-9120794-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-9120794-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-9120794-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
EP-2760840-B1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2760840-B1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-20140235673-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 US disclosed
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 US disclosed
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 US disclosed
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 US disclosed
EP-2760834-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013048982-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048930-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048930-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048942-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
EP-1190710-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DIABETES SHIONOGI & CO., LTD. (JP) 2002-03-27 EP 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 (3 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-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, PNLIP KIF11 4828/4885PNMT 1388/4885TAAR1 3521/4885
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL KIF11 4745/4885PNMT 1359/4885TAAR1 3440/4885
US-20140235673-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL KIF11 4704/4885PNMT 1593/4885TAAR1 2562/4885

“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.