SCHEMBL4256899

SCHEMBL4256899

NC(=O)c1c[n+]([O-])ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 1/20 0.33
PARP1 P09874 2/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAPK8 P45983 1/20 0.31
PDE4A P27815 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
SCHEMBL6991058 0.84 MEN1 (0.42) CES2MAPK14KMT2AMEN1ALDH1A1
SCHEMBL1447612 0.80
SCHEMBL6380899 0.79 MAPT (0.43) CES2MAPTP2RX7LMNAGAA
SCHEMBL31132730 0.74 MEN1 (0.42) CES2KMT2AMEN1ALDH1A1P2RX7
SCHEMBL27535691 0.70 LMNA (0.60) ALDH1A1MAPTLMNAGAAMAOB
SCHEMBL118007 0.70 LMNA (0.60) ALDH1A1MAPTLMNAGAAMAOB
SCHEMBL2513712 0.70 KIF11 (0.36)
SCHEMBL25302253 0.68 GPR84 (0.32)
Hydrochloric Acid SCHEMBL1267047 0.68 LMNA (0.58) ALDH1A1MAPTLMNAGAAMAOB
SCHEMBL11956552 0.68 GPR84 (0.32) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1044233-C Amide compounds and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1999-07-21 CN claimed
EP-0580374-B1 Pyridine amides and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1996-01-03 EP claimed
US-5360806-A Insecticides ISHIHARA SANGYO KAISHA LTD. (JP) 1994-11-01 US claimed
CN-1081670-A Amide compound and salt thereof, their manufacturing process and pesticide composition thereof ISHIHARA SANGYO KAISHA (JP) 1994-02-09 CN claimed
CN-100496248-C Pesticide composition ISHIHARA SANGYO KAISHA (JP) 2009-06-10 CN disclosed
US-7514094-B2 Synergistic mixture of N-cyanomethyl-4-trifluoromethyl-3-pyridinecarboxyamide and insecticides such as Pirimicarb, and Clothianidin; killing pests grown in some place by one time and reducing a dosage than in a case of using an effective component respectively alone ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-04-07 US disclosed
CN-101185441-A Pesticidal composition ISHIHARA SANGYO KAISHA (JP) 2008-05-28 CN disclosed
US-20070142439-A1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA LTD. (JP) 2007-06-21 US disclosed
US-7195773-B2 Such as N-cyanomethyl-4-trifluoromethyl-3-pyridinecarboxyamide ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-03-27 US disclosed
EP-1328154-B1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA (JP) 2005-07-27 EP disclosed
CN-1568143-A Pesticide composition ISHIHARA SANGYO KAISHA (JP) 2005-01-19 CN disclosed
US-20040024026-A1 Pesticidal composition ISHIHARA SANGYO KAISHA, LTD (JP) 2004-02-05 US disclosed
EP-1328154-A1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-07-23 EP disclosed
WO-2002034050-A1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-05-02 WO disclosed
CN-1044233-C Amide compounds and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1999-07-21 CN disclosed
EP-0580374-B1 Pyridine amides and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1996-01-03 EP disclosed
US-5360806-A Insecticides ISHIHARA SANGYO KAISHA LTD. (JP) 1994-11-01 US disclosed
CN-1081670-A Amide compound and salt thereof, their manufacturing process and pesticide composition thereof ISHIHARA SANGYO KAISHA (JP) 1994-02-09 CN disclosed
EP-0580374-A1 Pyridine amides and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-01-26 EP 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-20040024026-A1 Pesticidal composition PRDX1, DDT, PRDX6 CES2 2023/4885MAPK14 3842/4885KMT2A 1497/4885
US-20070142439-A1 PESTICIDAL COMPOSITION DDT, PRDX1, PRDX6 CES2 2361/4885MAPK14 3541/4885KMT2A 1336/4885

“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.