SCHEMBL2743576

SCHEMBL2743576

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABL1 P00519 4/20 0.37
MAPT P10636 4/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
ATF4 P18848 1/20 0.36
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL1260593 0.91 EPHX2 (0.46) ABL1MAPTLMNAEPHX2SMN1; SMN2
SCHEMBL2743411 0.90 MAPT (0.40) ABCG2ATMNPSR1ABL1MAPT
SCHEMBL1261441 0.88 ABCG2 (0.43) ABCG2ATMNPSR1ABL1MAPT
SCHEMBL2743577 0.86 MAPT (0.36) ABCG2ATMNPSR1ABL1MAPT
SCHEMBL11029675 0.86 P2RY14 (0.42) ABCG2ATMNPSR1ABL1MAPT
SCHEMBL16078277 0.85 KCNQ3 (0.45) ABCG2ATMNPSR1MAPTCYP3A4
SCHEMBL11942665 0.85 NPC1 (0.43) ABCG2ATMNPSR1ABL1MAPT
SCHEMBL17454037 0.83 PGR (0.47) ABCG2MAPTCYP3A4LMNATP53
SCHEMBL28429104 0.83 CHRNA7 (0.37) ABCG2CYP3A4CHRNA7
SCHEMBL1260336 0.83 ALDH1A1 (0.39) EPHX2

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 ABCG2 619/4885ATM 4093/4885NPSR1 521/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ABCG2 3109/4885ATM 4614/4885NPSR1 2074/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ABCG2 3109/4885ATM 4614/4885NPSR1 2074/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ABCG2 3109/4885ATM 4614/4885NPSR1 2074/4885

“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.