SCHEMBL3583764

SCHEMBL3583764

COc1ccccc1-n1nc(Br)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN9A Q15858 3/20 0.46
UBE2N P61088 1/20 0.46
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CACNB4 O00305 2/20 0.40
CACNA1A O00555 2/20 0.40
CACNA1G O43497 2/20 0.40
CACNG3 O60359 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNB3 P54284 2/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNG7 P62955 2/20 0.40

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
SCHEMBL3581326 0.87 ALDH1A1 (0.47) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL3575638 0.82 VEGFA (0.43) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL3584270 0.81 THRB (0.46) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL3577941 0.79 SCN9A (0.50) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL3588997 0.78 UBE2N (0.44) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL3587068 0.78 SCN9A (0.40) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL1784121 0.76 MGLL (0.46) ALDH1A1TP53TSHRGAAADORA3
SCHEMBL3573435 0.76 THRB (0.43) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL3588563 0.76 UBE2N (0.44) ALDH1A1TP53LMNAMAPTTSHR
SCHEMBL3590305 0.75 SCN9A (0.41) ALDH1A1TP53LMNAMAPTSCN9A

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 10 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 disclosed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP 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
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
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 (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 ALDH1A1 3515/4885TP53 4865/4885LMNA 3784/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ALDH1A1 3515/4885TP53 4865/4885LMNA 3784/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ALDH1A1 3515/4885TP53 4865/4885LMNA 3784/4885

“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.