SCHEMBL1766658

SCHEMBL1766658

CN(C(=O)c1ccc(C#N)cc1)c1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc2I)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.40
ITK Q08881 6/20 0.39
TXK P42681 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MLYCD O95822 2/20 0.36
NR1H3 Q13133 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL1767258 0.94 SIRT2 (0.37) SIRT2ITKTXKRXFP1ABCC9
SCHEMBL1767295 0.93 ABCC9 (0.43) SIRT2RXFP1ABCC9ABCC8KCNJ11
SCHEMBL1767248 0.90 NR1H3 (0.43) ITKRXFP1LMNANR1H3
SCHEMBL1766330 0.90 SIRT2 (0.39) SIRT2ITKTXKRXFP1ABCC9
SCHEMBL1766851 0.90 SIRT2 (0.40) SIRT2ITKTXKRXFP1ABCC9
SCHEMBL1766928 0.89 MAPT (0.42) SIRT2RXFP1KCNJ11SMN1; SMN2NR1H3
SCHEMBL1767156 0.88 ABCC9 (0.42) SIRT2RXFP1ABCC9ABCC8KCNJ11
SCHEMBL1767100 0.86 SIRT2 (0.37) SIRT2ITKTXKRXFP1ABCC9
SCHEMBL1767182 0.85 KDM4E (0.42) RXFP1KCNJ11LMNAPOLBSMN1; SMN2
SCHEMBL1766625 0.85 SIRT2 (0.41) SIRT2ITKTXKRXFP1ABCC9

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 SIRT2 93/4885ITK 3893/4885TXK 1318/4885
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 SIRT2 93/4885ITK 3893/4885TXK 1318/4885
US-20130310459-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 SIRT2 170/4885ITK 4011/4885TXK 1596/4885
US-20110201687-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 SIRT2 93/4885ITK 3893/4885TXK 1318/4885
US-20130231392-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 SIRT2 170/4885ITK 4011/4885TXK 1596/4885

“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.