SCHEMBL699271

SCHEMBL699271

O=C=Nc1cccc(C(=O)Nc2c(Br)cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.35
KCNJ11 Q14654 4/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
P2RX1 P51575 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGS1 P23219 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGB5 P18084 1/20 0.32
KCNK3 O14649 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ8 Q15842 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
SCHEMBL698205 0.88 ITGB3 (0.42) KCNJ11MEN1KMT2ALMNAP2RX1
SCHEMBL698386 0.88 TAS1R3 (0.38) PLK1KCNJ11MEN1KMT2ALMNA
SCHEMBL698978 0.81 KCNJ11 (0.35) KCNJ11MEN1KMT2ALMNAP2RX1
SCHEMBL699366 0.80 KCNJ11 (0.35) KCNJ11MEN1KMT2ALMNAP2RX1
SCHEMBL699367 0.80 KCNJ11 (0.35) KCNJ11MEN1KMT2ALMNAP2RX1
SCHEMBL699708 0.79 KCNJ11 (0.34) KCNJ11MEN1KMT2ALMNAP2RX1
SCHEMBL697765 0.79 ABCC9 (0.50) KCNJ11MEN1KMT2ALMNAABCC9
SCHEMBL698083 0.78 KCNJ11 (0.36) KCNJ11MEN1KMT2ALMNAP2RX1
SCHEMBL699354 0.73 ITGB3 (0.42) KCNJ11MEN1KMT2ALMNAP2RX1
SCHEMBL699355 0.73 ITGB3 (0.42) KCNJ11MEN1KMT2ALMNAP2RX1

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 PLK1 4220/4885KCNJ11 2850/4885MEN1 2646/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 PLK1 4853/4885KCNJ11 2946/4885MEN1 4326/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 PLK1 4836/4885KCNJ11 2876/4885MEN1 4190/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 PLK1 4389/4885KCNJ11 2625/4885MEN1 2426/4885

“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.