SCHEMBL3582383

SCHEMBL3582383

N#C/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)NC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.64
KMT2A Q03164 13/20 0.64
MAPT P10636 12/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
ALDH1A1 P00352 6/20 0.64
RAB9A P51151 6/20 0.64
HTT P42858 5/20 0.64
NPC1 O15118 5/20 0.64
NPSR1 Q6W5P4 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
BLM P54132 2/20 0.64
RECQL P46063 1/20 0.64
PKM P14618 1/20 0.61
ALOX12 P18054 2/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 3/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.47
DDX3X O00571 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL3582388 1.00 MEN1 (0.64) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14204499 0.86 KMT2A (0.61) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16291927 0.80 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL16291929 0.80 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL923440 0.79 MAPT (0.68) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3581812 0.78 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3581815 0.78 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15869582 0.78 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15869583 0.78 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1465068 0.73 MAPT (0.67) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 9 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
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 MEN1 4868/4885KMT2A 4282/4885MAPT 2371/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MEN1 4868/4885KMT2A 4282/4885MAPT 2371/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MEN1 4868/4885KMT2A 4282/4885MAPT 2371/4885

“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.