SCHEMBL6357967

SCHEMBL6357967

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
XPO1 O14980 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDR P35968 1/20 0.30
AR P10275 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
SCHEMBL6417181 0.85 JUN (0.32) JUNNFKB1NFKB2RELA
SCHEMBL6357961 0.84 JUN (0.33) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL832709 0.80 ALDH1A1 (0.37) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL2090729 0.80 ALDH1A1 (0.49) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL565623 0.79 POLB (0.46) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL31337111 0.78 CA1 (0.35) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL29021390 0.78 CA1 (0.35) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL6357726 0.76 NFKB1 (0.40) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL6357963 0.75 XPO1 (0.33) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL831077 0.75 NOTUM (0.41) JUNNFKB1NFKB2RELAALDH1A1

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 3 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
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

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 JUN 2255/4885NFKB1 3506/4885NFKB2 3410/4885
US-20020032328-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides DDT, PTMS, TMT1A JUN 4830/4885NFKB1 4262/4885NFKB2 4533/4885
US-20040167334-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides DDT, PTMS, TMT1A JUN 4830/4885NFKB1 4262/4885NFKB2 4533/4885

“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.