SCHEMBL882884

SCHEMBL882884

CCOc1cc(OCC)nc(/C(C)=N/OCCCc2cccc(/C(C)=N/OC)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL882875 0.90 KCNH2 (0.33) KCNH2
SCHEMBL16164006 0.86 KCNH2 (0.32) KCNH2CYP4F2CYP4A11
SCHEMBL883003 0.86 KCNH2 (0.32) KCNH2CYP4F2CYP4A11
SCHEMBL10272877 0.83 KCNH2 (0.36) KCNH2IRAK4CYP4F2CYP4A11
SCHEMBL10272878 0.82 KCNH2 (0.35) KCNH2IRAK4CYP4F2CYP4A11
SCHEMBL10273019 0.81 LIPG (0.33) KCNH2CYP4F2CYP4A11
SCHEMBL10272874 0.81 KCNH2 (0.34) KCNH2CYP4F2CYP4A11
SCHEMBL16172520 0.81 KCNH2 (0.35) KCNH2CYP4F2CYP4A11
SCHEMBL10272867 0.80 SMN1; SMN2 (0.47) KCNH2CYP4F2CYP4A11
SCHEMBL882894 0.80 HSP90AA1 (0.38) KCNH2CYP4F2CYP4A11

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
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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 (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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 KCNH2 2045/4885IRAK4 1726/4885CYP4F2 1570/4885

“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.