SCHEMBL3576746

SCHEMBL3576746

COCCc1ccccc1-n1nc(OC)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
UBE2N P61088 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SCN9A Q15858 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ABCB1 P08183 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35

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 0.90 THRB (0.43) THRBALDH1A1TSHRUBE2NMEN1
SCHEMBL3577374 0.88 THRB (0.46) THRBALDH1A1KDM4EUBE2NSCN9A
SCHEMBL3573435 0.87 THRB (0.43) THRBALDH1A1TSHRUBE2NMEN1
SCHEMBL3585324 0.86 MC4R (0.42) THRBALDH1A1KDM4EHSD17B10USP2
SCHEMBL3574045 0.84 THRB (0.41) THRBALDH1A1KDM4ETSHRUBE2N
SCHEMBL3581326 0.84 ALDH1A1 (0.47) THRBALDH1A1HSD17B10TSHRUBE2N
SCHEMBL3590305 0.83 SCN9A (0.41) THRBALDH1A1UBE2NMEN1KMT2A
SCHEMBL3586767 0.81 KDM4E (0.41) THRBALDH1A1KDM4EUSP2TSHR
SCHEMBL3581571 0.80 NPBWR1 (0.42) THRBHSD17B10TSHRUBE2NMEN1
SCHEMBL3587068 0.80 SCN9A (0.40) THRBALDH1A1HSD17B10TSHRUBE2N

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 12 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
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

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 504/4885ALDH1A1 3515/4885KDM4E 2122/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 THRB 504/4885ALDH1A1 3515/4885KDM4E 2122/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 THRB 504/4885ALDH1A1 3515/4885KDM4E 2122/4885

“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.