SCHEMBL2239930

SCHEMBL2239930

CN(C(=O)c1ccc(Cl)nc1)c1cccc(C(=O)N(I)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2I)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 16/20 0.36
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNE1 P15382 2/20 0.33
KCNQ1 P51787 2/20 0.33
GRM4 Q14833 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
SCHEMBL1766856 0.96 GPBAR1 (0.35) GPBAR1KMT2ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL1766759 0.91 GPBAR1 (0.37) GPBAR1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1766694 0.87 GPBAR1 (0.36) GPBAR1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1766872 0.85 MDM4 (0.41) KMT2ASMN1; SMN2KCNQ3KCNQ2KCNE1
SCHEMBL1766527 0.84 GPBAR1 (0.35) GPBAR1KMT2ASMN1; SMN2
SCHEMBL1766319 0.83 GPBAR1 (0.36) GPBAR1KMT2ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL1766499 0.83 KCNQ3 (0.38) GPBAR1KMT2ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL1766312 0.82 GPBAR1 (0.37) GPBAR1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2239626 0.82 GPBAR1 (0.35) GPBAR1KMT2A
SCHEMBL1766849 0.82 RORC (0.33) GPBAR1

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
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
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

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 GPBAR1 4320/4885KMT2A 333/4885SMN1; SMN2 4436/4885
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 4320/4885KMT2A 333/4885SMN1; SMN2 4436/4885
US-20130310459-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 GPBAR1 4178/4885KMT2A 262/4885SMN1; SMN2 4245/4885
US-20110201687-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 GPBAR1 4320/4885KMT2A 333/4885SMN1; SMN2 4436/4885
US-20130231392-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 GPBAR1 4178/4885KMT2A 262/4885SMN1; SMN2 4245/4885

“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.