SCHEMBL14830658

SCHEMBL14830658

NCCCOc1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTR1B P28222 2/20 0.53
KDM4E B2RXH2 3/20 0.49
DHFR P00374 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PNMT P11086 1/20 0.45
HTT P42858 1/20 0.44
CASR P41180 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL7968991 0.93 TDP1 (0.54) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL1683000 0.90 KDM4E (0.57) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1290535 0.89 KDM4E (0.61) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL19897880 0.85 HTR1B (0.53) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL1249120 0.84 HTR1B (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL14830577 0.82 KDM4E (0.57) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18727941 0.81 HTR1B (0.50) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11019886 0.81 HTR1B (0.50) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL12968474 0.81 CYP1A2 (0.57) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL7321217 0.81 ALDH1A1 (0.57) ALDH1A1TP53CYP1A2CYP3A4CYP2D6

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 21 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-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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US 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-8946430-B2 Quinolinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-03 US disclosed
US-8946430-B2 Quinolinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-03 US disclosed
US-8933235-B2 Pyridinedione carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-13 US disclosed
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
US-20140235673-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 US disclosed
US-20140235673-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 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
WO-2013048942-A1 QUINOLINONE 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

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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ALDH1A1 440/4885TP53 4742/4885CYP1A2 522/4885
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ALDH1A1 440/4885TP53 4742/4885CYP1A2 522/4885
US-20140235673-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ALDH1A1 428/4885TP53 4832/4885CYP1A2 549/4885

“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.