SCHEMBL3087985

SCHEMBL3087985

COCC(C)NC(=O)c1cc(Br)c(C(F)F)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 3/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL12804666 0.81 ALDH1A1 (0.44) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL4907153 0.78 KDM4E (0.44) KDM4EKMT2AALDH1A1MAPTHSD17B1
SCHEMBL21619374 0.66 HPGD (0.52) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL21619277 0.66 HPGD (0.52) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL21587660 0.65 CREBBP (0.54) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL13986990 0.64 GSK3B (0.51) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL22559211 0.64 HPGD (0.47) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL22585514 0.64 HPGD (0.47) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL3084659 0.64 BRD4 (0.35) HPGDKDM4EALDH1A1MAPTHTT
SCHEMBL5901539 0.63 GAA (0.40) HPGDKDM4EMEN1KMT2AHSD17B10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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
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
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
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-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-2008131860-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2008-11-06 WO 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 HPGD 1290/4885KDM4E 740/4885MEN1 2485/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 HPGD 1308/4885KDM4E 826/4885MEN1 2387/4885

“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.