SCHEMBL4401609

SCHEMBL4401609

Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CC[N+]([O-])(Cc3ccc(-c4ncc(Cl)cn4)cc3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
GSK3B P49841 10/20 0.38
GSK3A P49840 3/20 0.37
F10 P00742 1/20 0.36
MAPT P10636 7/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
RAF1 P04049 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ALOX5AP P20292 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2680858 0.89 MEN1 (0.38) MAPK14GSK3BGSK3AF10MAPT
SCHEMBL12535746 0.89 MAPK14 (0.41) MAPK14GSK3BGSK3AF10MAPT
SCHEMBL4402605 0.88 KCNJ6 (0.38) MAPK14GSK3BGSK3AF10MAPT
SCHEMBL4401608 0.85 F10 (0.44) MAPK14GSK3BF10
SCHEMBL4442622 0.83 HDAC4 (0.34) MAPK14GSK3BGSK3AF10MAPT
SCHEMBL1033145 0.82 HIF1A (0.38) GSK3BGSK3AF10MAPTALDH1A1
SCHEMBL12535747 0.82 GSK3B (0.40) MAPK14GSK3BGSK3AMAPTTAS1R3
SCHEMBL15943296 0.81 MEN1 (0.38) MAPK14GSK3BGSK3AF10MAPT
SCHEMBL1725514 0.80 GSK3B (0.43) MAPK14GSK3BGSK3AMAPTTAS1R3
SCHEMBL4403433 0.79 ACHE (0.42) GSK3BF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586593-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-11-19 US disclosed
US-20120115884-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 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 (1 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-20120115884-A1 INSECTICIDAL COMPOUNDS ACHE, C1R, C5 MAPK14 4615/4885GSK3B 3390/4885GSK3A 3444/4885

“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.