SCHEMBL1260380

SCHEMBL1260380

O=[N+]([O-])c1ccc(-n2cnc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 7/20 0.65
TLR1 Q15399 7/20 0.65
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.45
SCN2A Q99250 1/20 0.45
RAD51 Q06609 1/20 0.45
PTGS1 P23219 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL1260911 0.84 TLR2 (0.51) TLR2TLR1ALDH1A1LMNANPSR1
SCHEMBL12573204 0.83 TLR2 (0.55) TLR2TLR1ALDH1A1LMNANPSR1
SCHEMBL12573212 0.83 TLR2 (0.55) TLR2TLR1ALDH1A1LMNANPSR1
SCHEMBL12573203 0.83 TLR2 (0.55) TLR2TLR1ALDH1A1LMNANPSR1
SCHEMBL1230233 0.80 TLR2 (0.46) TLR2TLR1ALDH1A1RAB9ANPC1
SCHEMBL2743492 0.80 KIF11 (0.51) TLR2TLR1RAB9ANPC1TDP1
SCHEMBL1259287 0.80 KIF11 (0.51) TLR2TLR1RAB9ANPC1TDP1
SCHEMBL17242578 0.79 TLR2 (1.00) TLR2TLR1ALDH1A1LMNANPSR1
SCHEMBL11901195 0.78 PTGS1 (0.47) TLR2TLR1ALDH1A1MAPTHTT
SCHEMBL17082477 0.77 NPC1 (0.44) TLR2TLR1RAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (6 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP TLR2 3295/4885TLR1 3807/4885ALDH1A1 2110/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS TLR2 4678/4885TLR1 4858/4885ALDH1A1 2560/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS TLR2 4678/4885TLR1 4858/4885ALDH1A1 2560/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC TLR2 4813/4885TLR1 4872/4885ALDH1A1 2867/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS TLR2 4678/4885TLR1 4858/4885ALDH1A1 2560/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 TLR2 4760/4885TLR1 4860/4885ALDH1A1 2480/4885

“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.