SCHEMBL3226663

SCHEMBL3226663

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(CC)c1NC(=O)c1ccc(C#N)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 3/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
AR P10275 3/20 0.33
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 1/20 0.32
ABL1 P00519 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
SCHEMBL3220253 0.95 KDM4E (0.40) ALDH1A1KDM4EHDAC1KCNQ3KCNQ2
SCHEMBL3226993 0.93 KDM4E (0.36) ALDH1A1KDM4EHDAC1KCNQ3KCNQ2
SCHEMBL3217239 0.90 KDM4E (0.35) ALDH1A1KDM4EHDAC1KCNQ3KCNQ2
SCHEMBL3213487 0.88 KDM4E (0.34) ALDH1A1KDM4EHDAC1KCNQ3KCNQ2
SCHEMBL3011716 0.88 LCK (0.41) HDAC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3213689 0.86 NPC1 (0.36) ALDH1A1KDM4EKCNQ3KCNQ2KCNE1
SCHEMBL3218396 0.85 HDAC1 (0.37) ALDH1A1KDM4EHDAC1HPGDTP53
SCHEMBL1275178 0.85 S1PR3 (0.42) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL3219952 0.84 KCNQ3 (0.35) HDAC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL299598 0.84 KCNQ3 (0.39) ALDH1A1KDM4EKCNQ3KCNQ2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed
US-8247594-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-21 US disclosed
US-20100130601-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-27 US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
EP-2120556-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-25 EP disclosed
EP-2114161-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-11 EP disclosed
WO-2008107091-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-09-12 WO disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 WO 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-20100130601-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 ALDH1A1 146/4885KDM4E 3298/4885HDAC1 353/4885
US-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 ALDH1A1 122/4885KDM4E 2732/4885HDAC1 234/4885

“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.