SCHEMBL3081585

SCHEMBL3081585

CCN(CC)C(=O)c1cc(Cl)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.35
HSP90AB1 P08238 3/20 0.35
MLYCD O95822 1/20 0.34
ALPL P05186 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
SPR P35270 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GNRHR P30968 1/20 0.32
KEAP1 Q14145 1/20 0.31
GHSR Q92847 1/20 0.31
POLB P06746 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL4908607 0.78 KDM4E (0.40) ALDH1A1KDM4EMAPT
SCHEMBL3092324 0.69
SCHEMBL3083467 0.64 HSD17B2 (0.36) LMNAALDH1A1MAPTL3MBTL1HSD17B1
SCHEMBL317228 0.63 MLYCD (0.46) HSP90AA1HSP90AB1MLYCDLMNARECQL
SCHEMBL17782172 0.62 GAA (0.43) LMNAALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL34468718 0.62 KDM4E (0.62) LMNAALDH1A1KDM4EOPRK1
SCHEMBL7293965 0.62 HSP90AA1 (0.45) HSP90AA1HSP90AB1MLYCDLMNAALDH1A1
SCHEMBL4470608 0.61 GAA (0.49) HSP90AA1HSP90AB1MLYCDALPLALDH1A1
SCHEMBL8574746 0.60 ALDH1A1 (0.53) HSP90AA1HSP90AB1ALPLLMNAALDH1A1
SCHEMBL143826 0.59 TP53 (0.65) HSP90AA1HSP90AB1LMNAALDH1A1MAPT

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 13 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
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 HSP90AA1 3740/4885HSP90AB1 3917/4885MLYCD 1156/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 HSP90AA1 3900/4885HSP90AB1 4003/4885MLYCD 1463/4885

“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.