SCHEMBL3588563

SCHEMBL3588563

COc1cc(F)ccc1-n1nc(OC)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.43
IDO1 P14902 1/20 0.42
ROCK2 O75116 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 1/20 0.40
P2RX3 P56373 4/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
P2RX7 Q99572 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL3577247 0.90 TP53 (0.43) UBE2NTP53THRBLMNAIDO1
SCHEMBL3581326 0.88 ALDH1A1 (0.47) UBE2NTP53THRBLMNAMAPT
SCHEMBL3588795 0.84 TP53 (0.50) UBE2NTP53THRBROCK2MAPT
SCHEMBL3588997 0.83 UBE2N (0.44) UBE2NTP53THRBLMNAMAPT
SCHEMBL3587068 0.82 SCN9A (0.40) UBE2NTP53THRBLMNAMAPT
SCHEMBL3587276 0.81 P2RX7 (0.42) ROCK2MAPTP2RX7
SCHEMBL3589884 0.79 ROCK2 (0.49) TP53THRBROCK2MAPTALDH1A1
SCHEMBL3578143 0.79 ROCK2 (0.48) ROCK2MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3590305 0.78 SCN9A (0.41) UBE2NTP53THRBLMNAIDO1
SCHEMBL3588486 0.77 NPC1 (0.54) UBE2NTP53THRBLMNAROCK2

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 12 patents. 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
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
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US 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
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 UBE2N 2746/4885TP53 4865/4885THRB 504/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 UBE2N 2746/4885TP53 4865/4885THRB 504/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 UBE2N 2746/4885TP53 4865/4885THRB 504/4885

“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.