SCHEMBL3388097

SCHEMBL3388097

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nn[nH]n3)cnn2C)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CDK1 P06493 1/20 0.38
CYP1A2 P05177 1/20 0.37
GPR35 Q9HC97 4/20 0.34
KDM1A O60341 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL55386 0.84 GAA (0.49) GAACDK1CYP1A2TP53GLA
SCHEMBL8845296 0.81 GAA (0.49) GAACDK1CYP1A2TP53GLA
SCHEMBL10772751 0.79 GAA (0.46) GAACDK1CYP1A2TP53GLA
SCHEMBL9878291 0.79 GAA (0.44) GAACDK1CYP1A2MAPTMAPK8
SCHEMBL4459068 0.78 GAA (0.54) GAACDK1CYP1A2TP53GLA
SCHEMBL116670 0.78 GAA (0.53) GAACDK1CYP1A2TP53GLA
SCHEMBL9661255 0.78 GAA (0.53) GAACDK1CYP1A2TP53GLA
SCHEMBL1535829 0.78 GAA (0.53) GAACDK1CYP1A2TP53GLA
SCHEMBL28087093 0.77 GAA (0.43) GAACDK1CYP1A2TP53GLA
SCHEMBL10921018 0.77 GAA (0.48) GAACDK1CYP1A2TP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648945-B2 cyclic dioxazine substituted pyridyl sulfonylurea derivatives for the selective control of unwanted vegetation in leguminous plants or for the non-selective control of unwanted vegetation BAYER CROPSCIENCE AG (DE) 2010-01-19 US disclosed
US-20050250647-A1 Herbicide combination BAYER CROPSCIENCE GMBH (DE) 2005-11-10 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 (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-20050250647-A1 Herbicide combination DDT, MSRB3, MTX2 GAA 1299/4885CDK1 864/4885CYP1A2 25/4885

“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.