SCHEMBL3584504

SCHEMBL3584504

CC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(C(C)C)cc3)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MAPT P10636 1/20 0.40
NLRP3 Q96P20 1/20 0.40
MCHR1 Q99705 2/20 0.39
ERCC5 P28715 1/20 0.39
P2RX3 P56373 5/20 0.39
NPBWR1 P48145 1/20 0.39
CTSK P43235 1/20 0.39
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3586554 0.91 NPC1 (0.52) NPC1LMNASMN1; SMN2IDO1TDO2
SCHEMBL3585664 0.90 MAPT (0.43) NPC1LMNASMN1; SMN2IDO1TDO2
SCHEMBL3589137 0.89 EEF2K (0.46) NPC1LMNASMN1; SMN2IDO1TDO2
SCHEMBL3588231 0.88 MCHR1 (0.44) NPC1LMNASMN1; SMN2IDO1TDO2
SCHEMBL3589165 0.88 P2RX3 (0.45) IDO1TDO2P2RX3
SCHEMBL3577184 0.88 MCHR1 (0.41) NPC1LMNASMN1; SMN2IDO1TDO2
SCHEMBL3578524 0.87 IDO1 (0.39) NPC1LMNASMN1; SMN2IDO1TDO2
SCHEMBL3578958 0.86 KDM4E (0.48) NPC1LMNASMN1; SMN2MAPTP2RX3
SCHEMBL3584605 0.86 L3MBTL1 (0.49) NPC1LMNASMN1; SMN2IDO1TDO2
SCHEMBL3588655 0.86 MAPT (0.41) NPC1LMNASMN1; SMN2IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104670-B3 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-09-21 EP claimed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP claimed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US claimed
CN-103588718-A Novel triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA SA 2014-02-19 CN claimed
CN-101679354-B As GABABTriazinedione derivatives as receptor modulators ADDEX PHARMA SA 2013-12-18 CN claimed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP claimed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US claimed
CN-101679354-A As GABABNovel triazinedione derivatives as receptor modulators ADDEX PHARMACEUTICALS SA 2010-03-24 CN claimed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US claimed
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP claimed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 WO claimed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
CN-101679354-A As GABABNovel triazinedione derivatives as receptor modulators ADDEX PHARMACEUTICALS SA 2010-03-24 CN disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP disclosed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885LMNA 3784/4885SMN1; SMN2 301/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885LMNA 3784/4885SMN1; SMN2 301/4885

“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.