SCHEMBL1111406

SCHEMBL1111406

COc1nc(NC(=O)NS(=O)(=O)c2c(I)cccc2OC(C)C(F)(F)F)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
DHODH Q02127 4/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL1874504 0.94 GAA (0.38) GAAMAPTALOX15SLC6A9ALDH1A1
SCHEMBL1868502 0.90 GAA (0.53) GAAMAPTTP53KMT2ASLC6A9
SCHEMBL1111417 0.87 TSHR (0.40) GAAMAPTLMNAALOX15ALDH1A1
SCHEMBL1873383 0.86 GAA (0.48) GAAMAPTTP53SLC6A9ALDH1A1
SCHEMBL1869173 0.80 MAPT (0.41) GAAMAPTMAPK1SLC6A9ALDH1A1
SCHEMBL13078771 0.76 GAA (0.38) GAAMAPTMAPK1LMNAMEN1
SCHEMBL2622462 0.76 GAA (0.41) GAAMAPTLMNAALOX15ALDH1A1
SCHEMBL3600638 0.75 GAA (0.45) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL2622461 0.74 GAA (0.51) GAAMAPTTP53KMT2AALDH1A1
SCHEMBL3777329 0.74 GAA (0.61) GAAMAPTTP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105324-A1 Herbicidal Compounds Based on N-Azinyl-N-Phenylsulfonylureas BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
EP-2278881-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PHENYLSULFONYLUREAS Bayer CropScience AG (DE) 2011-02-02 EP disclosed
WO-2009127378-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PHENYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2009-10-22 WO disclosed
EP-2110019-A1 Herbicidal compounds based on N-Azinyl-N'-phenylsulfonylureas Bayer CropScience AG (DE) 2009-10-21 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-20110105324-A1 Herbicidal Compounds Based on N-Azinyl-N-Phenylsulfonylureas DDT, AZI2, PFAS GAA 143/4885MAPT 4530/4885MAPK1 661/4885

“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.