SCHEMBL5534786

SCHEMBL5534786

CN(C)C(=O)Oc1c(-c2cc(-c3ccc(F)cc3)ccc2Cl)c(=O)n2n1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.34
CHUK O15111 1/20 0.34
ATR Q13535 1/20 0.34
MAPK13 O15264 4/20 0.33
MAPK12 P53778 4/20 0.33
MAPK11 Q15759 4/20 0.33
MAPK14 Q16539 4/20 0.33
CENPE Q02224 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
RORC P51449 1/20 0.32
PGR P06401 1/20 0.31
ACLY P53396 1/20 0.31
UGCG Q16739 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
GRIN2B Q13224 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL5534740 0.84 MAPK13 (0.35) IKBKBCHUKATRMAPK13MAPK12
SCHEMBL5540724 0.78 MAPK13 (0.37) IKBKBCHUKATRMAPK13MAPK12
SCHEMBL5536318 0.75 MAPK13 (0.37) IKBKBCHUKATRMAPK13MAPK12
SCHEMBL5539657 0.74 TSHR (0.37) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL10228007 0.69 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5542707 0.67 MAPK13 (0.35) IKBKBCHUKATRMAPK13MAPK12
SCHEMBL5542073 0.67 MAPK13 (0.36) IKBKBMAPK13MAPK12MAPK11MAPK14
SCHEMBL12256259 0.67 ACACB (0.41) MAPK14
SCHEMBL12029789 0.65 ACACB (0.39) HDAC1HDAC2DPP4
SCHEMBL16068912 0.65 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8586783-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 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 (4 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-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives DDT, CYP4X1, HPD IKBKB 3489/4885CHUK 3044/4885ATR 3876/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD IKBKB 3489/4885CHUK 3044/4885ATR 3876/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD IKBKB 3489/4885CHUK 3044/4885ATR 3876/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD IKBKB 3489/4885CHUK 3044/4885ATR 3876/4885

“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.