Sugi Predict

Sugi Predict / Compounds / SCHEMBL1541995

SCHEMBL1541995

SCHEMBL1541995

COc1c(OCCCc2ccccc2)c(OCCCl)c(C(C)=O)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ SCN9A Q15858 1/20 0.36
▸ KCNA3 P22001 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL1542376 0.89 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1542868 0.88 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1542204 0.82 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27833884 0.80 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2180340 0.76 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2178876 0.76 KCNA3 (0.34) KCNA3SMN1; SMN2
SCHEMBL27833881 0.74 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3763110 0.73 PDE4D (0.43) PDE4DSCN9AKCNA3SMN1; SMN2LMNA
SCHEMBL2179863 0.72 FAAH (0.36) PDE4DKCNA3ALDH1A1LMNA
SCHEMBL3757808 0.71 PDE4D (0.45) PDE4DSCN9AKCNA3

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-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
EP-2303850-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF Bionomics Limited (AU) 2011-04-06 — — EP 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 GRIN2D 1104/4885GRIN3B 258/4885GRIN1 792/4885

“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.