SCHEMBL1962532

SCHEMBL1962532

CCS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCCOCCOC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDR1 Q08345 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
SCHEMBL1963180 0.91 CA12 (0.30)
SCHEMBL9274041 0.86 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1964741 0.84 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1965873 0.84 HPD (0.37) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL12478106 0.82 HPD (0.31)
SCHEMBL1965659 0.81 HPD (0.33) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1965392 0.80 KDM4E (0.35) MAPTALDH1A1HTTSMN1; SMN2
Tembotrione SCHEMBL3762569 0.76 HPD (0.31)
SCHEMBL8848046 0.76 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5604518 0.75 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2D6MAPTCYP2C9

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 26 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
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP 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
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO 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
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 (6 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 CYP1A2 18/4885CYP3A4 118/4885CYP2D6 55/4885
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 CYP1A2 55/4885CYP3A4 298/4885CYP2D6 184/4885
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 CYP1A2 74/4885CYP3A4 202/4885CYP2D6 763/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 CYP1A2 51/4885CYP3A4 116/4885CYP2D6 621/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 CYP1A2 220/4885CYP3A4 824/4885CYP2D6 1422/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER CYP1A2 1091/4885CYP3A4 2239/4885CYP2D6 1900/4885

“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.