SCHEMBL4402605

SCHEMBL4402605

Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CC[N+]([O-])(Cc3ccc(-c4ncc(Cl)cn4)cc3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.38
KCNJ3 P48549 1/20 0.38
MAPK14 Q16539 1/20 0.37
RAF1 P04049 2/20 0.36
F10 P00742 1/20 0.36
GSK3B P49841 8/20 0.34
MAPT P10636 4/20 0.34
GSK3A P49840 3/20 0.34
KLKB1 P03952 1/20 0.34
MAP4K1 Q92918 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
MCHR1 Q99705 2/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 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
SCHEMBL12535737 0.90 GSK3B (0.39) KCNJ6KCNJ3MAPK14RAF1GSK3B
SCHEMBL4442622 0.89 HDAC4 (0.34) MAPK14F10GSK3BMAPTGSK3A
SCHEMBL4401609 0.88 MAPK14 (0.38) MAPK14RAF1F10GSK3BMAPT
SCHEMBL2680635 0.85 F10 (0.43) KCNJ6KCNJ3MAPK14F10MCHR1
SCHEMBL2680858 0.82 MEN1 (0.38) MAPK14F10GSK3BMAPTGSK3A
SCHEMBL12535751 0.81 GSK3B (0.40) KCNJ6KCNJ3MAPK14RAF1GSK3B
SCHEMBL1726708 0.80 GSK3B (0.39) MAPK14RAF1GSK3BMAPTGSK3A
SCHEMBL9884611 0.79 KCNJ6 (0.40) KCNJ6KCNJ3MAPK14RAF1GSK3B
SCHEMBL4402603 0.79 GPR6 (0.43) F10GSK3BMCHR1
SCHEMBL1727490 0.78 GSK3B (0.40) MAPK14RAF1GSK3BMAPTGSK3A

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 KCNJ6 2700/4885KCNJ3 2350/4885MAPK14 4615/4885

“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.