SCHEMBL3589890

SCHEMBL3589890

O=C(O)c1nn(-c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ABHD16A O95870 1/20 0.46
MAPK14 Q16539 2/20 0.45
PDE4B Q07343 4/20 0.45
PDE4D Q08499 4/20 0.45
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPN P05981 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5846631 0.80 MAPT (0.56) L3MBTL1KMT2ASMN1; SMN2MAPTCYP2D6
SCHEMBL9022581 0.79 ABHD16A (0.54) KMT2ASMN1; SMN2ABHD16APDE4BPDE4D
SCHEMBL3584424 0.78 HPN (0.47) KMT2ASMN1; SMN2ABHD16APDE4BPDE4D
SCHEMBL9427713 0.75 ABHD16A (0.47) KMT2ASMN1; SMN2ABHD16APDE4BPDE4D
SCHEMBL3586307 0.73 MAPT (0.56) KMT2AABHD16AMAPK14NPC1RAB9A
SCHEMBL9132407 0.72 L3MBTL1 (0.55) L3MBTL1KMT2ATP53MAPTCYP2D6
SCHEMBL9141986 0.71 ABHD16A (0.46) KMT2ASMN1; SMN2ABHD16APDE4BPDE4D
SCHEMBL3474407 0.71 L3MBTL1 (0.48) L3MBTL1KMT2AMAPTCYP2D6HPGD
SCHEMBL8961569 0.71 L3MBTL1 (0.48) L3MBTL1KMT2AMAPTCYP2D6HPGD
SCHEMBL28287786 0.71 RAB9A (0.55) L3MBTL1KMT2ASMN1; SMN2ABHD16AMAPK14

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 L3MBTL1 3045/4885KMT2A 4282/4885SMN1; SMN2 301/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 L3MBTL1 3045/4885KMT2A 4282/4885SMN1; SMN2 301/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 L3MBTL1 3045/4885KMT2A 4282/4885SMN1; 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.