SCHEMBL6357963

SCHEMBL6357963

N=S(C(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl)C(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMO O15229 2/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDR P35968 1/20 0.30
CES2 O00748 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL832709 0.80 ALDH1A1 (0.37) XPO1JUNNFKB1NFKB2RELA
SCHEMBL2090729 0.80 ALDH1A1 (0.49) XPO1JUNNFKB1NFKB2RELA
SCHEMBL565623 0.79 POLB (0.46) XPO1JUNNFKB1NFKB2RELA
SCHEMBL29021390 0.78 CA1 (0.35) XPO1JUNNFKB1NFKB2RELA
SCHEMBL31337111 0.78 CA1 (0.35) XPO1JUNNFKB1NFKB2RELA
SCHEMBL6357726 0.76 NFKB1 (0.40) XPO1JUNNFKB1NFKB2RELA
SCHEMBL6357961 0.75 JUN (0.33) XPO1JUNNFKB1NFKB2RELA
SCHEMBL6357967 0.75 JUN (0.33) XPO1JUNNFKB1NFKB2RELA
SCHEMBL831077 0.75 NOTUM (0.41) XPO1JUNNFKB1NFKB2RELA
SCHEMBL5871893 0.74 NFKB1 (0.33) XPO1JUNNFKB1NFKB2RELA

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-20050176734-A1 Method for producing 4-haloalkyl nicotinic acid amides BAYER CROPSCIENCE AG (DE) 2005-08-11 US disclosed
US-20040167334-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides SHERMOLOVICH YURIY GRIGORIEVIC (UA) 2004-08-26 US disclosed
EP-1274683-A2 HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2003-01-15 EP disclosed
US-20020032328-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2002-03-14 US disclosed
WO-2001070692-A2 HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2001-09-27 WO 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 (3 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-20050176734-A1 Method for producing 4-haloalkyl nicotinic acid amides CBR3, CBR1, HCAR3 XPO1 4026/4885JUN 2255/4885NFKB1 3506/4885
US-20020032328-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides DDT, PTMS, TMT1A XPO1 4628/4885JUN 4830/4885NFKB1 4262/4885
US-20040167334-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides DDT, PTMS, TMT1A XPO1 4628/4885JUN 4830/4885NFKB1 4262/4885

“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.