SCHEMBL4463221

SCHEMBL4463221

C[S+]([O-])c1cccc(N(c2cccc(N)n2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.34
KCNH2 Q12809 1/20 0.34
MPO P05164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4472130 0.83 SMN1; SMN2 (0.41) KCNA5SMN1; SMN2
SCHEMBL4459076 0.82 KCNA5 (0.38) KCNA5KCNH2MPOSMN1; SMN2
SCHEMBL14435433 0.81 CFTR (0.42) KCNA5KCNH2SMN1; SMN2
SCHEMBL4472831 0.78 TAAR1 (0.38) KCNA5KCNH2
SCHEMBL4458360 0.76 POLB (0.37) KCNA5KCNH2SMN1; SMN2
SCHEMBL4464257 0.74 TAAR1 (0.35) KCNA5KCNH2
SCHEMBL4469190 0.73 CYP19A1 (0.36) KCNA5KCNH2
SCHEMBL4461880 0.73 KCNA5 (0.35) KCNA5KCNH2
SCHEMBL4456901 0.72 CYP19A1 (0.49) KCNA5KCNH2
SCHEMBL4459300 0.72 KCNA5 (0.36) KCNA5KCNH2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed

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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 11/4885KCNH2 2/4885MPO 4808/4885

“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.