SCHEMBL3205410

SCHEMBL3205410

C=CCc1ccnc(CC=C)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CDC7 O00311 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
POLB P06746 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL9215747 0.84 PTGDR (0.33) PTGDRPTGDR2ICAM1SELEVCAM1
SCHEMBL5141459 0.75 GABRA1 (0.33) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL7083112 0.75 PARP1 (0.47) KDM4EALDH1A1MAPTHSD17B10PARP1
SCHEMBL27040370 0.74 FFAR1 (0.33) PTGDRPTGDR2ICAM1SELEVCAM1
SCHEMBL28805611 0.74 KDM4E (0.38) KDM4EALDH1A1GAAHSD17B10JAK1
SCHEMBL2364147 0.74 NAPRT (0.42) PTGDRPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL28988139 0.74 ADORA3 (0.34) KDM4EMEN1KMT2APARP1
SCHEMBL9777775 0.74 ADRA2B (0.34) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL440739 0.73 PDE3B (0.37) KDM4ECDC7MEN1ALDH1A1KMT2A
SCHEMBL23362167 0.72 KDM4E (0.44) ICAM1SELEVCAM1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710972-A Water-soluble polymer oil displacement agent HAO YU ADDITION AGENT CO LTD 2015-06-17 CN claimed
CN-103304739-B KGM (konjac glucomannan) blended polymer oil displacement agent and preparation method thereof UNIV SOUTHWEST PETROLEUM 2015-05-27 CN claimed
CN-103304739-A KGM (konjac glucomannan) blended polymer oil displacement agent and preparation method thereof UNIV SOUTHWEST PETROLEUM 2013-09-18 CN claimed
WO-2016096942-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
US-20160150782-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2016-06-02 US disclosed
EP-3019012-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2016-05-18 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
CN-104710972-A Water-soluble polymer oil displacement agent HAO YU ADDITION AGENT CO LTD 2015-06-17 CN disclosed
CN-103304739-B KGM (konjac glucomannan) blended polymer oil displacement agent and preparation method thereof UNIV SOUTHWEST PETROLEUM 2015-05-27 CN 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-2015004040-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-01-15 WO 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
EP-2152077-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS Bayer CropScience AG (DE) 2010-02-17 EP disclosed
EP-2144879-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF Bayer CropScience AG (DE) 2010-01-20 EP 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-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
EP-1987718-A1 Utilisation of pyridine-2-oxy-3-carbon amides as safener 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

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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS CBR3, CBR1, CYP4Z1 PTGDR 1709/4885PTGDR2 1106/4885ICAM1 4880/4885
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 PTGDR 2623/4885PTGDR2 2445/4885ICAM1 4715/4885
US-20160150782-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS PDXK, PLPBP, PNPO PTGDR 1464/4885PTGDR2 1221/4885ICAM1 4858/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 PTGDR 2487/4885PTGDR2 2273/4885ICAM1 4746/4885

“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.