SCHEMBL623143

SCHEMBL623143

O=C1NN=C(O)C1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
CA2 P00918 2/20 0.39
GAA P10253 4/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
GFER P55789 2/20 0.34
RAB9A P51151 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL1537352 0.81 MEN1 (0.42) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL19514889 0.77 GAA (0.53) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL8083470 0.72 ALDH1A1 (0.40) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL7883065 0.68 MAPT (0.52) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL8867170 0.67 HPGD (0.43) MAPTCYP1A2CYP3A4GAAALDH1A1
SCHEMBL27532467 0.67 MAPT (0.42) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL1639992 0.64 MAPT (0.48) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL28346563 0.63 CA2 (0.41) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL17294198 0.63 MAPT (0.46) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL11875390 0.62 PTPN1 (0.49) MAPTLMNATP53CYP1A2CYP3A4

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 US disclosed
EP-3046907-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES Syngenta Limited (GB) 2016-07-27 EP disclosed
WO-2015040114-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-26 WO disclosed
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
WO-2015032702-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL- PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-12 WO 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-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-6458965-B1 HERBICIDES, ANTIGROWTH AGENTS AND SURFACTANTS FOR WOOD PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6451843-B1 Arylphenyl-substituted cyclic keto enols BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-6417370-B1 HERBICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed
CN-1298390-A Arylphenyl-substituted cyclic keto-enols BAYER AG (DE) 2001-06-06 CN disclosed
EP-1075465-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO ENOLS BAYER AG (DE) 2001-02-14 EP disclosed
EP-1066258-A1 ARYL PHENYL SUBSTITUTED CYCLIC KETOENOLS Bayer Aktiengesellschaft (DE) 2001-01-10 EP disclosed
EP-1056717-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS Bayer Aktiengesellschaft (DE) 2000-12-06 EP disclosed
WO-1999055673-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed
WO-1999048869-A1 ARYL PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-30 WO disclosed
WO-1999043649-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-02 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-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives DDT, CYP4X1, HPD MAPT 4472/4885LMNA 4742/4885TP53 1968/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD MAPT 4472/4885LMNA 4742/4885TP53 1968/4885
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES CBR3, CBR1, CNPY2 MAPT 4825/4885LMNA 4435/4885TP53 4436/4885

“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.