SCHEMBL9878291

SCHEMBL9878291

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK1 P06493 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL55386 0.94 GAA (0.49) GAASMN1; SMN2CDK1MAPK8MAPK10
SCHEMBL15525703 0.92 GAA (0.42) GAASMN1; SMN2ALOX15MAPK8MAPK10
SCHEMBL28087093 0.87 GAA (0.43) GAACDK1MAPK8MAPK10CYP1A2
SCHEMBL27379393 0.84 FBP1 (0.37) GAASMN1; SMN2MAPK8MAPK10ALDH1A1
SCHEMBL6666879 0.84 GAA (0.42) GAACDK1MAPK8MAPK10CYP1A2
Bensulfuron Methyl SCHEMBL8569580 0.82 GAA (0.40) GAATSHRCDK1MAPK8MAPK10
SCHEMBL9216825 0.82 GAA (0.35) GAAMAPK8MAPK10CYP1A2
SCHEMBL9216810 0.81 ACLY (0.32) GAAMAPK8MAPK10ALDH1A1
Chlorimuron Ethyl SCHEMBL28087163 0.80 GAA (0.37) GAATSHRSMN1; SMN2CDK1ALDH1A1
SCHEMBL8845296 0.80 GAA (0.49) GAASMN1; SMN2CDK1CYP1A2MAPT

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
US-4746353-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-24 US claimed
US-9609867-B2 Synergistic weed control from applications of haloxyfop and ALS inhibitor herbicides DOW AGROSCIENCES LLC (US) 2017-04-04 US disclosed
US-20150305335-A1 SYNERGISTIC WEED CONTROL FROM APPLICATIONS OF HALOXYFOP AND ALS INHIBITOR HERBICIDES CORTEVA AGRISCIENCE LLC 2015-10-29 US disclosed
US-5017214-A Herbicidal sulfonamides LEVITT GEORGE (US) 1991-05-21 US disclosed
US-4913726-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-03 US disclosed
US-4786311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-22 US disclosed
US-4746353-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-24 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-20150305335-A1 SYNERGISTIC WEED CONTROL FROM APPLICATIONS OF HALOXYFOP AND ALS INHIBITOR HERBICIDES NOTUM, HACL2, SOD1 GAA 23/4885TSHR 4391/4885SMN1; SMN2 237/4885

“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.