SCHEMBL3579540

SCHEMBL3579540

COc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc3c(c2)CCN3C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
GAA P10253 2/20 0.38
CHRNA7 P36544 1/20 0.37
BTK Q06187 1/20 0.37
POLB P06746 1/20 0.36
ERCC5 P28715 2/20 0.36

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
SCHEMBL3587733 0.87 MAPT (0.38) NPC1RAB9ATSHRMAPTSMN1; SMN2
SCHEMBL3584477 0.86 P2RX7 (0.36) MAPTCHRNA7EEF2K
SCHEMBL3583201 0.84 FAAH (0.42) NPC1RAB9ATSHRMAPTSMN1; SMN2
SCHEMBL3591671 0.83 POLB (0.45) MAPTSMN1; SMN2POLBERCC5KDM4E
SCHEMBL3582065 0.83 NPC1 (0.47) NPC1RAB9ATP53TSHRMAPT
SCHEMBL3581021 0.83 MAPT (0.44) NPC1RAB9ATP53TSHRMAPT
SCHEMBL3577519 0.83 KDM4E (0.48) NPC1RAB9ATP53TSHRMAPT
SCHEMBL3583505 0.83 MAPT (0.46) NPC1RAB9ATP53TSHRMAPT
SCHEMBL3584174 0.82 ERCC5 (0.40) NPC1RAB9ATP53TSHRMAPT
SCHEMBL3586875 0.82 L3MBTL1 (0.47) NPC1RAB9ATP53TSHRMAPT

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 16 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
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
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 NPC1 4838/4885RAB9A 2507/4885TP53 4865/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885RAB9A 2507/4885TP53 4865/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885RAB9A 2507/4885TP53 4865/4885

“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.