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Sugi Predict / Compounds / SCHEMBL1766622

SCHEMBL1766622

SCHEMBL1766622

CN(C(=O)c1ccc(C#N)cc1Cl)c1cccc(C(=O)N(Br)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ MLYCD O95822 1/20 0.30
▸ SLC22A12 Q96S37 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
SCHEMBL1767240 0.92 MRGPRX4 (0.33) MRGPRX4SIRT2MEN1KMT2ANR1H3
SCHEMBL1766490 0.89 MAPK14 (0.37) MRGPRX4NR1H3MAPK14POLBSMN1; SMN2
SCHEMBL1766271 0.88 NR1H3 (0.39) MRGPRX4HSD11B1NR1H3MAPK14MLYCD
SCHEMBL1766974 0.87 GPBAR1 (0.38) MRGPRX4NR1H3MAPK14SMN1; SMN2MCHR1
SCHEMBL1766382 0.85 MAPK14 (0.36) MRGPRX4NR1H3MAPK14POLBSMN1; SMN2
SCHEMBL1767103 0.84 NR1H3 (0.37) MRGPRX4HSD11B1NR1H3MAPK14RORC
SCHEMBL1766726 0.82 NR1H3 (0.46) KMT2ANR1H3MLYCD
SCHEMBL2242369 0.81 RXFP1 (0.36) SIRT2NR1H3RORC
SCHEMBL1767017 0.81 NR1H3 (0.40) MRGPRX4HSD11B1NR1H3MAPK14TRPA1
SCHEMBL1766502 0.81 KMT2A (0.36) MEN1KMT2ANR1H3MLYCDP2RX1

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 MRGPRX4 2332/4885HSD11B1 4160/4885SIRT2 93/4885
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 MRGPRX4 2332/4885HSD11B1 4160/4885SIRT2 93/4885
US-20130310459-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 MRGPRX4 2449/4885HSD11B1 4225/4885SIRT2 170/4885
US-20110201687-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 MRGPRX4 2332/4885HSD11B1 4160/4885SIRT2 93/4885
US-20130231392-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 MRGPRX4 2449/4885HSD11B1 4225/4885SIRT2 170/4885

“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.