Sugi Predict

Sugi Predict / Compounds / SCHEMBL2179672

SCHEMBL2179672

SCHEMBL2179672

COc1c(OCCCc2ccccc2)c(O)c(N)c(C)c1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ PDE4A P27815 1/20 0.37

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
SCHEMBL2180340 0.82 GRIN2D (0.41) SCN9APPARGPPARDPPARAALOX5
SCHEMBL3757808 0.81 PDE4D (0.45) SCN9APPARGPPARDPPARAALOX5
SCHEMBL1542896 0.78 SCN9A (0.40) LMNASCN9APDE4DFFAR1KCNA3
SCHEMBL1542204 0.77 GRIN2D (0.42) LMNASCN9APDE4DSMN1; SMN2MAPT
SCHEMBL2180079 0.76 KCNA3 (0.42) SCN9APDE4DKCNA3MTNR1B
SCHEMBL3762438 0.75 ALOX5 (0.50) SCN9AALOX5PDE4DPDE4APDE4B
SCHEMBL1542897 0.75 SCN9A (0.37) LMNASCN9APDE4DFFAR1KCNA3
SCHEMBL3763110 0.74 PDE4D (0.43) LMNASCN9APDE4DFFAR1KCNA3
SCHEMBL12409064 0.73 CYP3A4 (0.43) LMNAKCNA3SMN1; SMN2MAPTCYP2C9
SCHEMBL1541630 0.73 IDO1 (0.40) LMNASCN9AALOX5PDE4DFFAR1

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 7 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-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 — — US disclosed
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
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 — — US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 — — US disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 — — 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 LMNA 2249/4885SCN9A 108/4885PPARG 4318/4885

“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.