SCHEMBL2743577

SCHEMBL2743577

OC(=S)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABL1 P00519 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATF4 P18848 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL1260594 0.91 MAPT (0.47) MAPTABL1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2743411 0.89 MAPT (0.40) MAPTABCG2ATMNPSR1ABL1
SCHEMBL2743576 0.86 ABCG2 (0.39) MAPTABCG2ATMNPSR1ABL1
SCHEMBL1261441 0.85 ABCG2 (0.43) MAPTABCG2ATMNPSR1ABL1
SCHEMBL28429104 0.84 CHRNA7 (0.37) ABCG2CYP3A4
SCHEMBL11029675 0.83 P2RY14 (0.42) MAPTABCG2ATMNPSR1ABL1
SCHEMBL17454037 0.82 PGR (0.47) MAPTABCG2SMN1; SMN2TP53LMNA
SCHEMBL1260336 0.82 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11942665 0.82 NPC1 (0.43) MAPTABCG2ATMNPSR1ABL1
SCHEMBL16078277 0.82 KCNQ3 (0.45) MAPTABCG2ATMNPSR1L3MBTL1

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 2297/4885ABCG2 619/4885ATM 4093/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPT 3378/4885ABCG2 3109/4885ATM 4614/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPT 3378/4885ABCG2 3109/4885ATM 4614/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPT 3378/4885ABCG2 3109/4885ATM 4614/4885

“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.