SCHEMBL1965392

SCHEMBL1965392

CCS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ADRB2 P07550 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL118936 0.92 OXTR (0.36) KDM4EADRB2ALDH1A1L3MBTL1SCN9A
SCHEMBL12770865 0.89 OXTR (0.34) KDM4EADRB2SCN9ANPC1RAB9A
Tembotrione SCHEMBL169933 0.86 KDM4E (0.40) KDM4EADRB2ALDH1A1SCN9AMAPK1
Mesotrione SCHEMBL17927117 0.82 KMT2A (0.44) KDM4EPOLBALDH1A1MAPTMAPK1
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927184 0.82 KDM4E (0.35) KDM4EADRB2ALDH1A1NPC1MITF
SCHEMBL25394141 0.81 HPGD (0.32) KDM4EALDH1A1GAAL3MBTL1NPC1
Dichlormid SCHEMBL14655255 0.81 OXTR (0.33) KDM4EADRB2ALDH1A1
SCHEMBL3803713 0.81 SCN9A (0.32) KDM4EADRB2ALDH1A1SCN9ANPC1
SCHEMBL1965873 0.80 HPD (0.37) ALDH1A1MAPT
SCHEMBL1962532 0.80 CYP1A2 (0.34) ALDH1A1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 WO disclosed
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
CN-1949966-B Quinoxalin-2-one derivatives, crop protection agents comprising the same and method for production and use therof BAYER CROPSCIENCE GMBH 2010-05-26 CN disclosed
WO-2008131860-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed
WO-2008131861-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed
EP-1987718-A1 Utilisation of pyridine-2-oxy-3-carbon amides as safener Bayer CropScience AG (DE) 2008-11-05 EP disclosed
EP-1987717-A1 Pyridon carboxamides, agents containing these but not impacting useful plants and method for their manufacture and application Bayer CropScience AG (DE) 2008-11-05 EP disclosed
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2008-10-30 US disclosed
US-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-10-30 US disclosed
CN-1949966-A Quinoxalin-2-one derivatives, crop protection agents comprising the same and method for production and use therof BAYER CROPSCIENCE GMBH (DE) 2007-04-18 CN disclosed
EP-1746880-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF Bayer CropScience GmbH (DE) 2007-01-31 EP disclosed
WO-2005112630-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF BAYER CROPSCIENCE GMBH (DE) 2005-12-01 WO disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 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 (7 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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS CBR3, CBR1, CYP4Z1 KDM4E 3015/4885ADRB2 2102/4885POLB 3432/4885
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 KDM4E 2003/4885ADRB2 1151/4885POLB 2535/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 KDM4E 2076/4885ADRB2 1224/4885POLB 1994/4885
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 KDM4E 740/4885ADRB2 2844/4885POLB 2651/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 KDM4E 826/4885ADRB2 2835/4885POLB 2481/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 KDM4E 901/4885ADRB2 3249/4885POLB 2128/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER KDM4E 2447/4885ADRB2 4664/4885POLB 3553/4885

“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.