SCHEMBL1950440

SCHEMBL1950440

Cc1[c]c(I)c(-c2ccc(C#N)cc2)c(C(F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP11B2 P19099 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
AR P10275 2/20 0.31
PTPN5 P54829 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK14 Q16539 1/20 0.31
TRPA1 O75762 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
MLYCD O95822 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 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
SCHEMBL1947004 0.94 KIF11 (0.35) KIF11AR
SCHEMBL1948959 0.87 KIF11 (0.40) KIF11CYP11B2HDAC1HDAC6AR
SCHEMBL1946386 0.86 KIF11 (0.39) KIF11CYP11B2HDAC1HDAC6PTPN5
SCHEMBL1950954 0.86 KIF11 (0.39) KIF11ALDH1A1CYP2A6CYP11B2HDAC1
SCHEMBL1948399 0.86 KIF11 (0.37) KIF11CYP11B2HDAC1HDAC6PTPN5
SCHEMBL1949661 0.84 KIF11 (0.38) KIF11ALDH1A1CYP2A6CYP11B2HDAC1
SCHEMBL1949145 0.84 KIF11 (0.38) KIF11ALDH1A1CYP2A6CYP11B2HDAC1
SCHEMBL1946692 0.84 KIF11 (0.35) KIF11CYP2A6CYP11B2
SCHEMBL2106428 0.82 KIF11 (0.34) KIF11MLYCD
SCHEMBL1950235 0.81 KIF11 (0.38) KIF11CYP11B2DGAT1SOAT1KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084420-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2015-07-21 US disclosed
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO, INC. (JP) 2014-04-17 US disclosed
US-8633228-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2014-01-21 US disclosed
US-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD Mitsui Chemicals Agro., Inc. (JP) 2011-06-09 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 (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-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 KIF11 2089/4885ALDH1A1 1837/4885CYP2A6 840/4885
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 KIF11 2089/4885ALDH1A1 1837/4885CYP2A6 840/4885

“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.