SCHEMBL237725

SCHEMBL237725

CCN(Cc1cnc(Br)s1)/C(=C\[N+](=O)[O-])NC

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL237726 1.00 ACHE (0.30) ACHEPDK1PDK2PDK3PDK4
SCHEMBL236048 0.88 RECQL (0.36) ACHE
SCHEMBL7679007 0.88 RECQL (0.36) ACHE
SCHEMBL236049 0.88 RECQL (0.36) ACHE
SCHEMBL7662711 0.87
SCHEMBL2787317 0.87
SCHEMBL237009 0.87
SCHEMBL2787316 0.87
SCHEMBL237010 0.87
SCHEMBL7664952 0.85 ACHE (0.33) ACHEPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225940-B1 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION GMBH (AT) 2014-03-12 EP disclosed
US-8293733-B2 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION AG (AT) 2012-10-23 US disclosed
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 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-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS CHRND, ITGAM, CHRM2 ACHE 56/4885PDK1 4297/4885PDK2 4231/4885

“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.