SCHEMBL3692136

SCHEMBL3692136

O=C(S)NC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.49
RBP4 P02753 1/20 0.42
MAPT P10636 2/20 0.41
DGAT2 Q96PD7 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40
S1PR1 P21453 1/20 0.40
GPR183 P32249 1/20 0.40
APLNR P35414 1/20 0.40
S1PR5 Q9H228 1/20 0.40
P2RX1 P51575 1/20 0.40
NTRK1 P04629 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1D P48730 1/20 0.37

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
SCHEMBL15244373 0.92 NPC1 (0.62) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL9018351 0.87 NPC1 (0.58) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL15244314 0.86 NPC1 (0.57) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL3761522 0.86 POLB (0.57) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL15244029 0.84 NPC1 (0.63) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL3692138 0.84 NPC1 (0.56) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL6081356 0.83 NPC1 (0.61) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL3689970 0.83 NPC1 (0.58) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL7503700 0.82 NPC1 (0.59) NPC1POLBALDH1A1RBP4MAPT
SCHEMBL3759581 0.82 POLB (0.59) NPC1POLBALDH1A1RBP4MAPT

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
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-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-20080200522-A1 COMPOSITION AND METHOD FOR CONTROLLING HOUSE INSECT PEST ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-08-21 US 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
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
US-20040024026-A1 Pesticidal composition ISHIHARA SANGYO KAISHA, LTD (JP) 2004-02-05 US 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
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 (4 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 NPC1 4127/4885POLB 4173/4885ALDH1A1 3596/4885
US-20040024026-A1 Pesticidal composition PRDX1, DDT, PRDX6 NPC1 4369/4885POLB 2660/4885ALDH1A1 911/4885
US-20070142439-A1 PESTICIDAL COMPOSITION DDT, PRDX1, PRDX6 NPC1 4728/4885POLB 2780/4885ALDH1A1 1772/4885
US-20050215597-A1 Composition for controlling house insect pest and method for controlling house insect pest DDT, PHB1, ACHE NPC1 3918/4885POLB 4188/4885ALDH1A1 3702/4885

“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.