SCHEMBL623142

SCHEMBL623142

O=C1N=NC(O)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 8/20 0.34
MAOA P21397 7/20 0.34
KDM1A O60341 5/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2B6 P20813 3/20 0.34
CYP1A2 P05177 3/20 0.34
SLC6A3 Q01959 3/20 0.34
LMNA P02545 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL27532466 0.68 SMN1; SMN2 (0.38) EDNRASMN1; SMN2MAPTKDM4EHPGD
SCHEMBL4307405 0.66 EDNRA (0.43) EDNRASMN1; SMN2MAPTKDM4EHPGD
SCHEMBL10843954 0.65 SMN1; SMN2 (0.65) EDNRASMN1; SMN2MAPTCYP1A2SLC6A3
SCHEMBL6544574 0.64 SLC6A3 (0.38) MAPTKDM4EHPGDMAOBMAOA
SCHEMBL24515872 0.61 EDNRA (0.39) EDNRASMN1; SMN2MAPTCYP2C19CYP1A2
SCHEMBL10745108 0.61 EDNRA (0.39) EDNRASMN1; SMN2MAPTCYP2C19CYP1A2
SCHEMBL4000647 0.61 GAA (0.41) MAPTMAOBMAOAKDM1ACYP2C19
SCHEMBL20503289 0.60 SMN1; SMN2 (0.47) EDNRASMN1; SMN2MAPTMAOBMAOA
SCHEMBL12474357 0.60 SMN1; SMN2 (0.52) EDNRASMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22732971 0.60 SMN1; SMN2 (0.52) EDNRASMN1; SMN2MAPTCYP1A2SLC6A3

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 41 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 EDNRA 3776/4885SMN1; SMN2 4748/4885MAPT 4472/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD EDNRA 3776/4885SMN1; SMN2 4748/4885MAPT 4472/4885
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES CBR3, CBR1, CNPY2 EDNRA 1904/4885SMN1; SMN2 4648/4885MAPT 4825/4885

“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.