SCHEMBL4082876

SCHEMBL4082876

CC(C)(CCN(CC#N)C(=O)c1cnccc1C(F)(F)F)C(=O)O.O=C(NCN1CCCCC1)c1cnccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.34
DRD4 P21917 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
SSTR4 P31391 3/20 0.33
TGFBR1 P36897 2/20 0.32
NAMPT P43490 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
TP53 P04637 3/20 0.31
MDM2 Q00987 3/20 0.31
SCD5 Q86SK9 1/20 0.31
POLQ O75417 1/20 0.31
RBP4 P02753 1/20 0.31
BCL3 P20749 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
SCHEMBL3691119 0.86 MAPT (0.42) ALDH1A1MAPTDGAT2NPC1POLB
SCHEMBL3768445 0.80 ALDH1A1 (0.49) ALDH1A1DRD4DGAT2NPC1POLB
SCHEMBL15236976 0.79 ALDH1A1 (0.50) ALDH1A1MAPTDRD4DGAT2NPC1
SCHEMBL27331126 0.72 ALDH1A1 (0.49) ALDH1A1MAPTDGAT2NPC1POLB
Flonicamid SCHEMBL9018084 0.71 ALDH1A1 (0.45) ALDH1A1MAPTDGAT2NPC1POLB
SCHEMBL29893821 0.71 MAPT (0.46) ALDH1A1MAPTDGAT2NPC1POLB
SCHEMBL28620961 0.71 MAPT (0.46) ALDH1A1MAPTDGAT2NPC1POLB
SCHEMBL29893782 0.70 MAPT (0.45) ALDH1A1MAPTDGAT2NPC1POLB
SCHEMBL28889522 0.70 MAPT (0.45) ALDH1A1MAPTDGAT2NPC1POLB
Flonicamid SCHEMBL26954 0.69 ALDH1A1 (0.53) ALDH1A1MAPTDGAT2NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20070142439-A1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA LTD. (JP) 2007-06-21 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 (1 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-20070142439-A1 PESTICIDAL COMPOSITION DDT, PRDX1, PRDX6 ALDH1A1 1772/4885MAPT 4590/4885DRD4 1362/4885

“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.