SCHEMBL699708

SCHEMBL699708

O=C=Nc1cccc(C(=O)Nc2c(Br)cc([S+]([O-])C(F)(F)C(F)(F)C(F)(F)F)cc2Br)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 7/20 0.34
P2RX1 P51575 2/20 0.31
ABCC9 O60706 4/20 0.31
ABCC8 Q09428 4/20 0.31
KCNJ8 Q15842 4/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.30
GPR35 Q9HC97 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL699238 0.88 TAS1R3 (0.36) KCNJ11P2RX1ABCC9ABCC8KCNJ8
SCHEMBL698142 0.88 ITGB3 (0.39) KCNJ11ABCC9ABCC8KCNJ8MAPT
SCHEMBL2103789 0.83 PTGS1 (0.46) KCNJ11P2RX1MAPTMEN1LMNA
SCHEMBL2105615 0.81 KCNK3 (0.47) MAPTMEN1LMNAKMT2ATP53
SCHEMBL698112 0.80 ABCC9 (0.50) KCNJ11ABCC9ABCC8KCNJ8MAPT
SCHEMBL698978 0.80 KCNJ11 (0.35) KCNJ11P2RX1ABCC9ABCC8KCNJ8
SCHEMBL699367 0.79 KCNJ11 (0.35) KCNJ11P2RX1ABCC9ABCC8KCNJ8
SCHEMBL699366 0.79 KCNJ11 (0.35) KCNJ11P2RX1ABCC9ABCC8KCNJ8
SCHEMBL699271 0.79 PLK1 (0.35) KCNJ11P2RX1ABCC9ABCC8KCNJ8
SCHEMBL698083 0.78 KCNJ11 (0.36) KCNJ11P2RX1ABCC9ABCC8KCNJ8

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 2850/4885P2RX1 2302/4885ABCC9 1247/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 KCNJ11 2946/4885P2RX1 2951/4885ABCC9 158/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 KCNJ11 2876/4885P2RX1 2909/4885ABCC9 762/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 KCNJ11 2625/4885P2RX1 1725/4885ABCC9 1002/4885

“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.