SCHEMBL3768445

SCHEMBL3768445

O=C(NCN1CCCCC1)c1cnccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
DRD4 P21917 1/20 0.44
BCL3 P20749 1/20 0.44
RBP4 P02753 1/20 0.43
DGAT2 Q96PD7 1/20 0.41
GAA P10253 1/20 0.41
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TGFBR1 P36897 2/20 0.40
GFER P55789 1/20 0.40
SCD5 Q86SK9 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15236976 0.99 ALDH1A1 (0.50) ALDH1A1NPC1POLBDRD4BCL3
SCHEMBL9017973 0.81 POLB (0.51) ALDH1A1NPC1POLBRBP4GAA
SCHEMBL4082876 0.80 ALDH1A1 (0.35) ALDH1A1NPC1POLBDRD4BCL3
SCHEMBL18397975 0.79 POLB (0.52) ALDH1A1NPC1POLBRBP4DGAT2
SCHEMBL3762834 0.78 ALDH1A1 (0.60) ALDH1A1NPC1POLBRBP4DGAT2
SCHEMBL3752774 0.77 ALDH1A1 (0.56) ALDH1A1NPC1POLBRBP4DGAT2
SCHEMBL27335141 0.77 ALDH1A1 (0.59) ALDH1A1NPC1POLBRBP4DGAT2
SCHEMBL29944078 0.76 RBP4 (0.64) NPC1POLBRBP4NAMPTHPGD
SCHEMBL8569196 0.76 ALDH1A1 (0.61) ALDH1A1NPC1POLBRBP4DGAT2
SCHEMBL6776473 0.75 NPC1 (0.59) ALDH1A1NPC1POLBRBP4DGAT2

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
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
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 claimed
US-7655677-B2 Composition and method for controlling house insect pest ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-02-02 US disclosed
US-20080200522-A1 COMPOSITION AND METHOD FOR CONTROLLING HOUSE INSECT PEST ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-08-21 US disclosed
US-7195773-B2 Such as N-cyanomethyl-4-trifluoromethyl-3-pyridinecarboxyamide ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-03-27 US disclosed
US-20050215597-A1 Composition for controlling house insect pest and method for controlling house insect pest ISHIHARA SANGYO KAISHA, LTD (JP) 2005-09-29 US disclosed
EP-1328154-B1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA (JP) 2005-07-27 EP disclosed
EP-1476017-A2 COMPOSITION AND METHOD FOR CONTROLLING HOUSE INSECT PEST ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-11-17 EP disclosed
US-20040024026-A1 Pesticidal composition ISHIHARA SANGYO KAISHA, LTD (JP) 2004-02-05 US disclosed
WO-2003069990-A2 COMPOSITION AND METHOD FOR CONTROLLING HOUSE INSECT PEST ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-08-28 WO 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

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

For each of this compound's patents that has machine-readable text (3 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-20080200522-A1 COMPOSITION AND METHOD FOR CONTROLLING HOUSE INSECT PEST DDT, ACHE, BCHE ALDH1A1 3596/4885NPC1 4127/4885POLB 4173/4885
US-20040024026-A1 Pesticidal composition PRDX1, DDT, PRDX6 ALDH1A1 911/4885NPC1 4369/4885POLB 2660/4885
US-20050215597-A1 Composition for controlling house insect pest and method for controlling house insect pest DDT, PHB1, ACHE ALDH1A1 3702/4885NPC1 3918/4885POLB 4188/4885

“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.