SCHEMBL3776593

SCHEMBL3776593

NS(=O)(=O)c1ncccc1C1=NOCCO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 2/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
ABL1 P00519 1/20 0.32
PLCG1 P19174 1/20 0.32
CES1 P23141 1/20 0.32
PAX8 Q06710 1/20 0.32
RIN1 Q13671 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
ALOX5AP P20292 1/20 0.31

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
SCHEMBL3783324 0.86 TDP1 (0.32) KMT2ATDP2NSD2ABL1PLCG1
SCHEMBL7908092 0.86 TDP2 (0.32) KMT2ATDP2NSD2ABL1PLCG1
SCHEMBL8633493 0.80
SCHEMBL1203236 0.78 CA1 (0.33) CA1CA2CA9CA12MAPK1
SCHEMBL7901217 0.78 CA1 (0.38) CA1CA2CA9CA12ALOX5AP
SCHEMBL29469898 0.78 CA1 (0.38) CA1CA2CA9CA12ALOX5AP
SCHEMBL13242890 0.77 MKNK1 (0.36)
SCHEMBL1576847 0.75 CA1 (0.32) CA1CA2CA9CA12MAPK1
SCHEMBL13266783 0.74
SCHEMBL19417734 0.74 TDP2 (0.30) KMT2ATDP2NSD2ABL1PLCG1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127795-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYL UREAS BAYER CROPSCIENCE AG (DE) 2010-11-11 WO claimed
US-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2010-11-04 US claimed
EP-2245935-A1 Herbicide compounds based on N-Azinyl-N-pyridylsulfonyl-uric substances Bayer CropScience AG (DE) 2010-11-03 EP claimed
WO-2010127795-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYL UREAS BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
US-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2010-11-04 US disclosed
EP-2245935-A1 Herbicide compounds based on N-Azinyl-N-pyridylsulfonyl-uric substances Bayer CropScience AG (DE) 2010-11-03 EP disclosed
EP-2245935-A1 Herbicide compounds based on N-Azinyl-N-pyridylsulfonyl-uric substances Bayer CropScience AG (DE) 2010-11-03 EP disclosed
US-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
WO-2008155003-A1 NICOTINAMIDE DERIVATIVES AS SYNTHESIS UNITS FOR PRODUCING AGROCHEMICAL SUBSTANCES, AND METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2008-12-24 WO disclosed
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP 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 (2 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-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS DDT, AZI2, PDXK CA1 4400/4885CA2 2849/4885CA9 4057/4885
US-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof NAMPT, NQO1, NNT CA1 1867/4885CA2 2783/4885CA9 2068/4885

“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.