SCHEMBL245575

SCHEMBL245575

[CH2]CC[S+]([O-])c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7329423 0.91
SCHEMBL1314975 0.85 CYP3A4 (0.38) CYP3A4TDP1
SCHEMBL20921242 0.85 CYP3A4 (0.38) CYP3A4TDP1
SCHEMBL7333201 0.85
SCHEMBL5073896 0.83
SCHEMBL7329826 0.83
SCHEMBL246078 0.80 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL2589285 0.77 MAOA (0.31)
SCHEMBL31561298 0.76 HTR2A (0.37) CYP3A4TDP1
SCHEMBL3649073 0.76 CYP3A4 (0.32) CYP3A4TDP1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048214-A The preparation method of new anti-arrhythmic II HAESSLE AB (SE) 1991-01-02 CN claimed
CN-105198861-B 6- acyl group -1,2,4- triazine -3,5- derovatives and herbicide FMC公司 2019-11-22 CN disclosed
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 US disclosed
US-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2018-09-25 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
EP-3020709-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORPORATION (US) 2016-05-18 EP disclosed
EP-2542538-B1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2015-12-30 EP disclosed
CN-105198861-A 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC COMPANY 2015-12-30 CN disclosed
CN-102971302-B 6-acyl-1, 2, 4-triazine-3, 5-dione derivatives and herbicides FMC CORP. (US) 2015-11-25 CN disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
CN-1048214-A The preparation method of new anti-arrhythmic II HAESSLE AB (SE) 1991-01-02 CN disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4322431-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
EP-0014469-A2 Benzimidazole-2-yl derivatives as medicines, their application and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-08-20 EP disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 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-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides DDT, AADAC, DAZAP1 CYP3A4 517/4885TDP1 1556/4885
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 CYP3A4 517/4885TDP1 1556/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 CYP3A4 517/4885TDP1 1556/4885

“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.