SCHEMBL2743897

SCHEMBL2743897

O=C(O)N(S)c1ccc(-c2nccn2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SERPINE1 P05121 3/20 0.39
PTGS2 P35354 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PORCN Q9H237 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA2D1 P54289 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL2743893 0.79 MAPT (0.53) MAPTCYP3A4CYP2D6PORCNSMN1; SMN2
SCHEMBL2743585 0.76 MAP4K4 (0.41) MAPTSERPINE1KDM5AKDM2BKDM4C
SCHEMBL2743895 0.76 MAPT (0.49) MAPTCYP3A4CYP2D6PORCNSMN1; SMN2
SCHEMBL23407635 0.71 GRM2 (0.45) MAPTCACNA2D1MAPK9MAPK10
SCHEMBL20254281 0.69 CYP3A4 (0.59) MAPTPTGS2CYP3A4CYP2D6PORCN
SCHEMBL2743579 0.68 LIPE (0.33) SERPINE1KDM5AKDM2BKDM4CKDM5B
SCHEMBL28594869 0.67 SMO (0.52) MAOAMAOBMAPK9MAPK10POLB
SCHEMBL14960652 0.67 KDM4E (0.46) MAPTKDM5AKDM2BKDM4CKDM5B
SCHEMBL27800423 0.66 KDM4E (0.45) MAPTCACNA2D1
SCHEMBL11771718 0.66 KDR (0.49) PTGS2CYP3A4CYP2D6TP53SMN1; SMN2

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 MAPT 2297/4885SERPINE1 4133/4885PTGS2 2546/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPT 3378/4885SERPINE1 4570/4885PTGS2 910/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPT 3378/4885SERPINE1 4570/4885PTGS2 910/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPT 3378/4885SERPINE1 4570/4885PTGS2 910/4885

“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.