SCHEMBL2743585

SCHEMBL2743585

O=C(O)N(S)c1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SERPINE1 P05121 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NLRP3 Q96P20 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DHODH Q02127 1/20 0.38
ACP1 P24666 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
AKR1C2 P52895 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
SCHEMBL1261437 0.83 MAP4K4 (0.51) MAP4K4KDM5AKDM2BKDM4CKDM5B
SCHEMBL2743581 0.79 EPHX2 (0.46) MAP4K4MAOAMAOBNPC1RAB9A
SCHEMBL1230313 0.78 MAOA (0.43) MAP4K4MAOAMAOBKDM5AKDM2B
SCHEMBL1259307 0.78 MAPT (0.47) MAP4K4MAOAMAOBNPC1RAB9A
SCHEMBL2743897 0.76 MAPT (0.41) MAOAMAOBKDM5AKDM2BKDM4C
SCHEMBL2743583 0.76 MAPT (0.47) MAOAMAOBNPC1RAB9ANLRP3
SCHEMBL1260911 0.75 TLR2 (0.51) MAP4K4MAOAMAOBNPC1RAB9A
SCHEMBL1259308 0.75 SCN5A (0.46) MAOAMAOBNPC1RAB9ANLRP3
SCHEMBL3772051 0.72 MARS1 (0.42) DHODHKDM4E
SCHEMBL19800806 0.71 MAOA (0.44) MAP4K4MAOAMAOBNPC1RAB9A

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 MAP4K4 4393/4885MAOA 760/4885MAOB 1349/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAP4K4 4597/4885MAOA 650/4885MAOB 1022/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAP4K4 4597/4885MAOA 650/4885MAOB 1022/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAP4K4 4597/4885MAOA 650/4885MAOB 1022/4885

“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.