SCHEMBL1766577

SCHEMBL1766577

CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)N(Br)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
NR1H3 Q13133 2/20 0.39
NR1H2 P55055 1/20 0.36
ALDH1A1 P00352 5/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPA1 O75762 1/20 0.33
KIF11 P52732 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLQ O75417 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
SCHEMBL1766497 0.94 ATM (0.42) ATMNR1H3NR1H2ALDH1A1HSD17B1
SCHEMBL1766726 0.89 NR1H3 (0.46) NR1H3NR1H2HSD17B1HSD17B2GPBAR1
SCHEMBL1767010 0.88 NR1H3 (0.42) NR1H3NR1H2HSD17B1HSD17B2GPBAR1
SCHEMBL1766773 0.85 NR1H3 (0.38) NR1H3NR1H2HSD17B1HSD17B2GPBAR1
SCHEMBL1766271 0.85 NR1H3 (0.39) NR1H3NR1H2ALDH1A1HSD17B1HSD17B2
SCHEMBL1766922 0.84 NR1H3 (0.44) NR1H3NR1H2HSD17B1HSD17B2GPBAR1
SCHEMBL1766347 0.84 NR1H3 (0.40) NR1H3NR1H2HSD17B1HSD17B2GPBAR1
SCHEMBL1766933 0.83 RORC (0.40) NR1H3NR1H2HSD17B1HSD17B2GPBAR1
SCHEMBL1766490 0.82 MAPK14 (0.37) NR1H3NR1H2HSD17B1HSD17B2GPBAR1
SCHEMBL1767338 0.82 GPBAR1 (0.37) NR1H3NR1H2HSD17B1HSD17B2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081552-B1 PEST CONTROL AGENT CONTAINING AN AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT MITSUI CHEMICALS AGRO INC (JP) 2021-03-03 EP disclosed
US-10582708-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2020-03-10 US disclosed
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2017-12-28 US disclosed
US-9756856-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2017-09-12 US disclosed
EP-2319830-B1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE PEST CONTROL AGENT MITSUI CHEMICALS AGRO INC (JP) 2016-11-02 EP disclosed
EP-3081552-A1 PEST CONTROL AGENT CONTAINING AN AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT Mitsui Chemicals Agro, Inc. (JP) 2016-10-19 EP disclosed
US-9237745-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2016-01-19 US disclosed
US-20130310459-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2013-11-21 US disclosed
US-20130231392-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS ARGO, INC. (JP) 2013-09-05 US disclosed
US-20110201687-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-08-18 US disclosed
EP-2319830-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT Mitsui Chemicals Agro, Inc. (JP) 2011-05-11 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 (5 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-10582708-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative H1-2, H1-4, H1-0 ATM 2464/4885NR1H3 2813/4885NR1H2 2189/4885
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 ATM 2464/4885NR1H3 2813/4885NR1H2 2189/4885
US-20130310459-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 ATM 2657/4885NR1H3 2803/4885NR1H2 2092/4885
US-20110201687-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 ATM 2464/4885NR1H3 2813/4885NR1H2 2189/4885
US-20130231392-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 ATM 2657/4885NR1H3 2803/4885NR1H2 2092/4885

“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.