Sugi Predict

Sugi Predict / Compounds / SCHEMBL3756879

SCHEMBL3756879

SCHEMBL3756879

COc1cc(C)c(C)c(OC)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL3749425 0.84 SYK (0.40) KCNH2SMN1; SMN2KMT2ATACR1L3MBTL1
SCHEMBL3751717 0.84 KCNA3 (0.39) SMN1; SMN2KMT2AGAAL3MBTL1
SCHEMBL27800946 0.83 KCNH2 (0.35) KCNH2MAOAMAOBSMN1; SMN2KMT2A
SCHEMBL27800943 0.83 SMN1; SMN2 (0.36) KCNH2SMN1; SMN2KMT2AMGAMGAA
SCHEMBL1542186 0.81 SMN1; SMN2 (0.38) KCNH2SMN1; SMN2KMT2AMGAMGAA
SCHEMBL3762026 0.78 KCNA3 (0.36) SMN1; SMN2GAAL3MBTL1
SCHEMBL3761768 0.78 SMN1; SMN2 (0.40) KCNH2SMN1; SMN2LMNAHTTMAPT
SCHEMBL1542332 0.76 L3MBTL1 (0.37) SMN1; SMN2GAAL3MBTL1LMNA
SCHEMBL3762890 0.75 KCNA3 (0.39) SLC6A2HTTSLC6A3MAPT
SCHEMBL27833882 0.74 L3MBTL1 (0.36) SMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 — — US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 — — US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 — — US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 — — US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 — — US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 — — US disclosed
CN-101888989-A Novel aryl potassium channel blockers and uses thereof BIONOMICS LTD 2010-11-17 — — CN disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 — — 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 KCNH2 4/4885MAOA 1995/4885MAOB 995/4885

“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.