SCHEMBL1229201

SCHEMBL1229201

O=Cc1ccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 12/20 0.44
DRD1 P21728 1/20 0.42
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KIF11 P52732 1/20 0.38
MCHR1 Q99705 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FAAH O00519 1/20 0.37
EPHX2 P34913 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
SCHEMBL5115617 0.85 GRIA1 (0.40) SCN5AMCHR1FAAHEPHX2
SCHEMBL505301 0.83 DRD1 (0.56) SCN5ADRD1KIF11CA12CA9
SCHEMBL185245 0.81 AURKA (0.51) SCN5AFAAHEPHX2
SCHEMBL1230313 0.80 MAOA (0.43) SCN5AMAOAMAOBCA12CA1
SCHEMBL97114 0.78 ALDH1A1 (0.52) DRD1FAAHEPHX2
SCHEMBL1228636 0.77 MAPKAPK2 (0.45) SCN5ADRD1SCN1ASCN2A
Hydrochloric Acid SCHEMBL3539828 0.77 ALDH1A1 (0.50) DRD1KIF11FAAHEPHX2
SCHEMBL19244930 0.76 ALDH5A1 (0.53) DRD1
Ethylene SCHEMBL27779893 0.75 ALDH1A1 (0.48) SCN5ADRD1KIF11FAAHEPHX2
Formaldehyde SCHEMBL28016257 0.75 ALDH1A1 (0.48) DRD1KIF11FAAHEPHX2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
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-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 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-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP 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
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
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
WO-2011017504-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO 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
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 SCN5A 1781/4885DRD1 32/4885SCN1A 1842/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS SCN5A 1874/4885DRD1 1725/4885SCN1A 2835/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 SCN5A 3053/4885DRD1 2713/4885SCN1A 3167/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS SCN5A 1874/4885DRD1 1725/4885SCN1A 2835/4885

“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.