SCHEMBL3219952

SCHEMBL3219952

N#Cc1ccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)cc1N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
PTGS1 P23219 8/20 0.34
HDAC1 Q13547 3/20 0.34
S1PR3 Q99500 1/20 0.33
MLYCD O95822 1/20 0.33
AR P10275 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL3777934 0.95 KCNQ3 (0.33) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3224938 0.94 HDAC1 (0.36) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL1766356 0.93 MAPT (0.38) MAPTXBP1NPSR1ABCC9ABCC8
SCHEMBL299995 0.93 KCNQ3 (0.36) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3226993 0.91 KDM4E (0.36) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3210164 0.89 HDAC1 (0.34) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3695537 0.88 KCNQ3 (0.35) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3011716 0.87 LCK (0.41) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL299598 0.86 KCNQ3 (0.39) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3213487 0.86 KDM4E (0.34) KCNQ3KCNQ2KCNE1KCNQ1ABCC9

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
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
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 KCNQ3 939/4885KCNQ2 1247/4885KCNE1 1045/4885
US-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 KCNQ3 596/4885KCNQ2 563/4885KCNE1 694/4885

“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.