SCHEMBL1767053

SCHEMBL1767053

CN(C(=O)c1ccc[n+]([O-])c1)c1cccc(C(=O)N(Br)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RORC P51449 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1767068 0.91 GPBAR1 (0.33) GPBAR1HDAC8RORC
SCHEMBL15228224 0.91 GPBAR1 (0.32) GPBAR1HDAC8ALDH1A1
SCHEMBL1766852 0.84 GPBAR1 (0.41) GPBAR1
SCHEMBL1766904 0.84 MLYCD (0.45) GPBAR1RORC
SCHEMBL1766707 0.83 GPBAR1 (0.39) GPBAR1HDAC8RORCMEN1KMT2A
SCHEMBL1766482 0.83 RORC (0.40) GPBAR1HDAC8RORC
SCHEMBL1766420 0.82 GPBAR1 (0.36) GPBAR1HDAC8
SCHEMBL1766742 0.82 GPBAR1 (0.39) GPBAR1HDAC8RORC
SCHEMBL1767050 0.81 ABL1 (0.33) HDAC8ALDH1A1MEN1KMT2A
SCHEMBL1766312 0.81 GPBAR1 (0.37) GPBAR1RORC

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 GPBAR1 4320/4885HDAC8 928/4885ALDH1A1 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 GPBAR1 4320/4885HDAC8 928/4885ALDH1A1 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.