SCHEMBL3586895

SCHEMBL3586895

COCCOc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
P2RX3 P56373 8/20 0.43
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGER1 P34995 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PTGER3 P43115 1/20 0.38

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
SCHEMBL3591298 0.90 P2RX3 (0.47) NPC1LMNASMN1; SMN2P2RX3RAB9A
SCHEMBL3582065 0.90 NPC1 (0.47) NPC1LMNASMN1; SMN2P2RX3RAB9A
SCHEMBL3584275 0.90 NPC1 (0.42) NPC1LMNASMN1; SMN2P2RX3RAB9A
SCHEMBL3574885 0.89 MEN1 (0.45) LMNASMN1; SMN2GAAMAPTALDH1A1
SCHEMBL3574086 0.86 P2RX3 (0.46) NPC1LMNASMN1; SMN2P2RX3RAB9A
SCHEMBL3578648 0.85 NPC1 (0.48) NPC1LMNASMN1; SMN2P2RX3RAB9A
SCHEMBL3584604 0.84 NPC1 (0.48) NPC1LMNASMN1; SMN2P2RX3RAB9A
SCHEMBL3578310 0.84 P2RX3 (0.42) SMN1; SMN2P2RX3MAPTPTGER3
SCHEMBL3580638 0.84 NPC1 (0.46) NPC1LMNASMN1; SMN2P2RX3RAB9A
SCHEMBL3586554 0.83 NPC1 (0.52) NPC1LMNASMN1; SMN2P2RX3RAB9A

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 20 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
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
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
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 4838/4885LMNA 3784/4885SMN1; SMN2 301/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885LMNA 3784/4885SMN1; SMN2 301/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885LMNA 3784/4885SMN1; SMN2 301/4885

“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.