SCHEMBL1767050

SCHEMBL1767050

CN(C(=O)c1ccc[n+]([O-])c1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNK3 O14649 2/20 0.30
KCNK9 Q9NPC2 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL17482103 0.94 ABL1 (0.35) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL1767065 0.91 HDAC8 (0.31) HDAC8MEN1LMNAMAPTKMT2A
SCHEMBL15228222 0.91 ALDH1A1 (0.34) ABL1RIN1ALDH1A1HDAC8KCNK3
SCHEMBL17482109 0.91 ABL1 (0.33) ABL1RIN1ALDH1A1KMT2ACYP1A2
SCHEMBL1766891 0.89 MEN1 (0.39) HDAC8MEN1LMNAMAPTKMT2A
SCHEMBL29427851 0.89 MEN1 (0.39) HDAC8MEN1LMNAMAPTKMT2A
SCHEMBL29733643 0.89 MEN1 (0.39) HDAC8MEN1LMNAMAPTKMT2A
SCHEMBL29361693 0.89 MEN1 (0.39) HDAC8MEN1LMNAMAPTKMT2A
SCHEMBL1766386 0.87 KCNJ11 (0.35) HDAC8MEN1LMNAMAPTKMT2A
SCHEMBL29427435 0.86 HDAC8 (0.35) HDAC8MEN1LMNAMAPTKMT2A

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 7 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
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
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 (2 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 ABL1 1523/4885RIN1 1199/4885ALDH1A1 2699/4885
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 ABL1 1523/4885RIN1 1199/4885ALDH1A1 2699/4885

“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.