SCHEMBL3577374

SCHEMBL3577374

COc1nn(-c2ccccc2CO)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
SCN9A Q15858 5/20 0.40
UBE2N P61088 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABCB1 P08183 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
P2RX3 P56373 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPC4 Q9UBN4 1/20 0.37
TRPC5 Q9UL62 1/20 0.37

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
SCHEMBL3577118 0.91 THRB (0.43) THRBSCN9AUBE2NTP53MAPT
SCHEMBL3573435 0.90 THRB (0.43) THRBSCN9AUBE2NTP53MAPT
SCHEMBL3576746 0.88 THRB (0.41) THRBSCN9AUBE2NTP53MAPT
SCHEMBL3590305 0.88 SCN9A (0.41) THRBSCN9AUBE2NTP53MAPT
SCHEMBL3574045 0.87 THRB (0.41) THRBSCN9AUBE2NTP53MAPT
SCHEMBL3577247 0.86 TP53 (0.43) THRBUBE2NTP53MAPTP2RX3
SCHEMBL3581326 0.86 ALDH1A1 (0.47) THRBSCN9AUBE2NTP53MAPT
SCHEMBL3586767 0.84 KDM4E (0.41) THRBALDH1A1KDM4EP2RX3SMN1; SMN2
SCHEMBL3585324 0.83 MC4R (0.42) THRBUBE2NALDH1A1KDM4E
SCHEMBL3584270 0.83 THRB (0.46) THRBSCN9ATP53MAPTRXFP1

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 THRB 504/4885SCN9A 2475/4885UBE2N 2746/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 THRB 504/4885SCN9A 2475/4885UBE2N 2746/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 THRB 504/4885SCN9A 2475/4885UBE2N 2746/4885

“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.