SCHEMBL698978

SCHEMBL698978

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 6/20 0.35
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
P2RX1 P51575 2/20 0.32
ABCC9 O60706 3/20 0.32
ABCC8 Q09428 3/20 0.32
KCNJ8 Q15842 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGAV P06756 3/20 0.31
ITGA2B P08514 3/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL699367 0.97 KCNJ11 (0.35) KCNJ11LMNAKMT2AALDH1A1THRB
SCHEMBL699366 0.91 KCNJ11 (0.35) KCNJ11LMNAKMT2AP2RX1ABCC9
SCHEMBL698083 0.90 KCNJ11 (0.36) KCNJ11LMNAKMT2AP2RX1ABCC9
SCHEMBL698268 0.88 TAS1R3 (0.37) KCNJ11LMNAKMT2AALDH1A1THRB
SCHEMBL697145 0.88 ITGB3 (0.40) KCNJ11LMNAKMT2AALDH1A1THRB
SCHEMBL697110 0.85 ITGB3 (0.40) KCNJ11KMT2AALDH1A1P2RX1ABCC9
SCHEMBL699065 0.85 TAS1R3 (0.36) KCNJ11LMNAKMT2AP2RX1ABCC9
SCHEMBL17965467 0.83 ITGB3 (0.37) KCNJ11LMNAKMT2AALDH1A1THRB
SCHEMBL17965466 0.83 ITGB3 (0.37) KCNJ11LMNAKMT2AALDH1A1THRB
SCHEMBL699014 0.82 PTGS1 (0.47) KCNJ11LMNAKMT2AALDH1A1THRB

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 KCNJ11 2850/4885LMNA 4134/4885KMT2A 1560/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 KCNJ11 2946/4885LMNA 2773/4885KMT2A 703/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 KCNJ11 2876/4885LMNA 3274/4885KMT2A 746/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 KCNJ11 2625/4885LMNA 3770/4885KMT2A 1931/4885

“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.