SCHEMBL3781332

SCHEMBL3781332

O=S(=O)(Cl)c1cnccc1C1=NOCCO1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.33
CA12 O43570 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA1 P00915 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3782693 0.86 CA12 (0.43) CA12CA2CA9CA14CA1
SCHEMBL3260507 0.70
SCHEMBL3785423 0.69 GAA (0.35) KDM4EMAPT
SCHEMBL7901217 0.69 CA1 (0.38) CA12CA2CA9CA14CA1
SCHEMBL29469898 0.69 CA1 (0.38) CA12CA2CA9CA14CA1
SCHEMBL3781439 0.68 GAA (0.47) TP53MAPT
SCHEMBL7901205 0.65 NOTUM (0.32)
SCHEMBL3783930 0.64 CA12 (0.42) CA12CA2CA9CA14CA1
SCHEMBL8627526 0.64
SCHEMBL18230 0.63 CA12 (0.41) CDC25BCA12CA2CA9CA14

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 CDC25B 25/4885CA12 4774/4885CA2 2849/4885

“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.