SCHEMBL1260911

SCHEMBL1260911

O=[N+]([O-])c1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.51
TLR1 Q15399 3/20 0.51
PSD A5PKW4 1/20 0.49
PGR P06401 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2743321 0.87 MAPT (0.46) TLR2TLR1PSDALDH1A1MAPT
SCHEMBL1260380 0.84 TLR2 (0.65) TLR2TLR1ALDH1A1MAPTRAB9A
SCHEMBL1230313 0.81 MAOA (0.43) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL1259307 0.81 MAPT (0.47) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL12573203 0.80 TLR2 (0.55) TLR2TLR1ALDH1A1MAPTRAB9A
SCHEMBL12573212 0.80 TLR2 (0.55) TLR2TLR1ALDH1A1MAPTRAB9A
SCHEMBL12573204 0.80 TLR2 (0.55) TLR2TLR1ALDH1A1MAPTRAB9A
SCHEMBL25204135 0.80 HTR2A (0.51) TLR2TLR1MAPTSMN1; SMN2CYP1A2
SCHEMBL1261437 0.80 MAP4K4 (0.51) RAB9ANPC1MAP4K4NLRP3
SCHEMBL22897927 0.79 CA1 (0.54) PSDPGRCA12CA1CA2

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 18 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
CN-104356177-A Pesticidal compositions DOW AGROSCIENCES LLC 2015-02-18 CN disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 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
WO-2011017513-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 TLR2 3295/4885TLR1 3807/4885PSD 1758/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS TLR2 4678/4885TLR1 4858/4885PSD 1414/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS TLR2 4678/4885TLR1 4858/4885PSD 1414/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC TLR2 4813/4885TLR1 4872/4885PSD 2426/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS TLR2 4678/4885TLR1 4858/4885PSD 1414/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 TLR2 4760/4885TLR1 4860/4885PSD 1685/4885

“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.