SCHEMBL3588231

SCHEMBL3588231

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 5/20 0.44
TP53 P04637 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
METAP2 P50579 1/20 0.43
LMNA P02545 3/20 0.42
PTGER3 P43115 1/20 0.42
P2RX3 P56373 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3585664 0.92 MAPT (0.43) MAPTTP53LMNAPTGER3P2RX3
SCHEMBL3586554 0.91 NPC1 (0.52) MCHR1MAPTLMNAP2RX3NPC1
SCHEMBL3589137 0.91 EEF2K (0.46) MAPTTP53RXFP1LMNANPC1
SCHEMBL3578357 0.90 P2RX7 (0.41) MCHR1KCNH2MAPTRXFP1METAP2
SCHEMBL3588655 0.90 MAPT (0.41) MCHR1MAPTMETAP2LMNAP2RX3
SCHEMBL3581041 0.89 LMNA (0.39) MCHR1MAPTTP53RXFP1LMNA
SCHEMBL3584504 0.88 NPC1 (0.43) MCHR1MAPTLMNAP2RX3NPC1
SCHEMBL3578958 0.88 KDM4E (0.48) MAPTTP53RXFP1LMNAPTGER3
SCHEMBL3586765 0.87 MAPT (0.44) MCHR1KCNH2MAPTTP53RXFP1
SCHEMBL3578643 0.87 SMN1; SMN2 (0.44) MCHR1KCNH2MAPTTP53LMNA

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 22 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-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
CN-103588718-A Novel triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA SA 2014-02-19 CN disclosed
CN-101679354-B As GABABTriazinedione derivatives as receptor modulators ADDEX PHARMA SA 2013-12-18 CN 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 MCHR1 1244/4885KCNH2 1882/4885MAPT 2371/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MCHR1 1244/4885KCNH2 1882/4885MAPT 2371/4885

“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.