SCHEMBL699065

SCHEMBL699065

O=C=Nc1cccc(C(=O)Nc2c(Cl)cc(SC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KCNJ11 Q14654 4/20 0.35
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ8 Q15842 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
TYK2 P29597 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
KCNQ5 Q9NR82 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
SCHEMBL698268 0.97 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2KCNJ11ABCC9
SCHEMBL699064 0.90 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2KCNJ11ABCC9
SCHEMBL697354 0.89 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2KCNJ11ABCC9
SCHEMBL699367 0.88 KCNJ11 (0.35) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL697110 0.88 ITGB3 (0.40) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL698978 0.85 KCNJ11 (0.35) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL697145 0.85 ITGB3 (0.40) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL17965467 0.82 ITGB3 (0.37) TAS1R3TAS1R1TAS1R2KCNJ11ABCC9
SCHEMBL17965466 0.80 ITGB3 (0.37) TAS1R3TAS1R1TAS1R2KCNJ11ABCC9
SCHEMBL698386 0.80 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2KCNJ11ABCC9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 US disclosed
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-08-30 US disclosed
US-8158814-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2012-04-17 US disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 EP 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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 TAS1R3 1146/4885TAS1R1 1554/4885TAS1R2 1788/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 TAS1R3 2175/4885TAS1R1 3509/4885TAS1R2 2615/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 TAS1R3 2602/4885TAS1R1 3823/4885TAS1R2 3056/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 TAS1R3 1276/4885TAS1R1 1598/4885TAS1R2 2085/4885

“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.