SCHEMBL3781439

SCHEMBL3781439

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cnccc2C2=NOCCO2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CDK1 P06493 1/20 0.43
CYP1A2 P05177 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 2/20 0.33
BRS3 P32247 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 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
SCHEMBL3780423 0.95 GAA (0.42) GAACDK1MAPT
SCHEMBL3785423 0.90 GAA (0.35) GAACDK1MAPTBRS3
SCHEMBL8632475 0.88 GAA (0.49) GAACDK1CYP1A2MAPTTP53
SCHEMBL939859 0.82 GAA (0.47) GAACDK1CYP1A2MAPTTP53
Ammonia Solution, Strong SCHEMBL939852 0.81 GAA (0.46) GAACDK1CYP1A2MAPTTP53
SCHEMBL8626947 0.81 GAA (0.45) GAACDK1CYP1A2MAPTTP53
Isopropylamine SCHEMBL939850 0.78 GAA (0.43) GAACDK1CYP1A2MAPTTP53
SCHEMBL15244182 0.77 GAA (0.42) GAACDK1MAPTTP53GLA
SCHEMBL4582813 0.77 GAA (0.42) GAACDK1CYP1A2MAPTTP53
Monoethanolamine SCHEMBL940690 0.77 GAA (0.42) GAACDK1CYP1A2MAPTTP53

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 7 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 disclosed
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
US-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2010-11-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 GAA 444/4885CDK1 811/4885CYP1A2 439/4885

“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.