SCHEMBL12409018

SCHEMBL12409018

COCc1cc(N(C)C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 14/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CHRM5 P08912 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ TERT O14746 1/20 0.34
▸ APP P05067 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL9480589 0.79 KDM4E (0.47) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL8861250 0.77 SIRT2 (0.39) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL7664616 0.77 KDM4E (0.50) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL31182983 0.77 KDM4E (0.46) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL4307694 0.77 KDM4E (0.46) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL29907776 0.77 KDM4E (0.46) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL15212887 0.77 KDM4E (0.46) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL15211555 0.77 KDM4E (0.46) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL4308808 0.77 ALDH1A1 (0.50) SIRT2ALDH1A1KDM4ECHRM5CHKA
SCHEMBL28056162 0.76 MAOA (0.44) NOS3NOS1NOS2MAOA

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-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 — — US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 — — 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 SIRT2 1438/4885ALDH1A1 4002/4885KDM4E 653/4885

“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.

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