SCHEMBL3752163

SCHEMBL3752163

COc1nc(OC)nc(C(O)c2cccc(Cl)c2N)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
AOC3 Q16853 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2292233 0.84 HSP90AA1 (0.37) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL2287286 0.84 HSP90AA1 (0.33) ITGB1ITGA4HSP90AA1HSP90AB1CYP1A2
SCHEMBL2287144 0.84 CYP1A2 (0.37) ITGB1ITGA4HSP90AA1HSP90AB1CYP1A2
SCHEMBL3741461 0.83 NPC1 (0.35) ITGB1ITGA4CYP1A2LMNAMAPT
SCHEMBL3741203 0.83
SCHEMBL4214474 0.83
SCHEMBL5505286 0.83 GAA (0.31) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2286580 0.83 HSP90AA1 (0.33) ITGB1ITGA4HSP90AA1HSP90AB1CYP1A2
SCHEMBL5505254 0.82 ITGB1 (0.35) ITGB1ITGA4HSP90AA1HSP90AB1CYP1A2
SCHEMBL5506437 0.81 ITGB1 (0.34) ITGB1ITGA4HSP90AA1HSP90AB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829703-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2010-11-09 US disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 US disclosed
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
EP-1750510-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2007-08-22 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 (2 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-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides PFAS, DDT, HDHD5 ITGB1 3879/4885ITGA4 4359/4885HSP90AA1 516/4885
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES HDHD5, PFAS, DDT ITGB1 4063/4885ITGA4 4412/4885HSP90AA1 658/4885

“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.