SCHEMBL2743579

SCHEMBL2743579

O=C(O)N(S)c1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SERPINE1 P05121 1/20 0.32
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM5A P29375 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL16042197 0.86 LIPE (0.34) LIPEBCHEACHESERPINE1POLB
SCHEMBL1260336 0.85 ALDH1A1 (0.39) KDM5AKDM2BKDM4CKDM5BKMT2A
SCHEMBL17420828 0.81 POLB (0.33) LIPEBCHEACHEPOLBBLM
SCHEMBL19503068 0.81 MAPKAPK2 (0.43) POLBBLMTDP1KMT2A
SCHEMBL2743411 0.81 MAPT (0.40) POLBTDP1KMT2A
SCHEMBL16030030 0.81 CYP2C9 (0.40) KMT2A
SCHEMBL29624861 0.81 KIF11 (0.42) LIPEBCHEACHEPOLBBLM
SCHEMBL2743576 0.80 ABCG2 (0.39) TDP1
SCHEMBL16028136 0.80 SMN1; SMN2 (0.40) POLBKMT2A
SCHEMBL16029760 0.79 FFAR1 (0.44)

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 11 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-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US 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
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 (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-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 LIPE 84/4885BCHE 19/4885ACHE 2/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS LIPE 813/4885BCHE 4/4885ACHE 1/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS LIPE 813/4885BCHE 4/4885ACHE 1/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS LIPE 813/4885BCHE 4/4885ACHE 1/4885

“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.