SCHEMBL2177326

SCHEMBL2177326

CC(=O)c1c(OCCN2CCOCC2)c(OCCC(C)c2ccc(F)cc2)c2ocnc2c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LDHA P00338 1/20 0.36
HTR1A P08908 4/20 0.35
HTR2A P28223 3/20 0.35
ACACB O00763 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR2 P34972 1/20 0.35
ACHE P22303 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
SCHEMBL2179289 0.88 MEN1 (0.39) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL12409129 0.87 LDHA (0.32) LDHA
SCHEMBL12409122 0.87 MEN1 (0.38) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL12409118 0.87 MEN1 (0.38) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL2177362 0.86 MEN1 (0.37) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL12409074 0.86 KCNA3 (0.32)
SCHEMBL2177975 0.85 MEN1 (0.36) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL2176824 0.85 KCNA3 (0.34)
SCHEMBL12409069 0.84 KCNA3 (0.40)
SCHEMBL3394410 0.84 MEN1 (0.42) MEN1KMT2ASIGMAR1ALDH1A1KDM4E

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 MEN1 2922/4885KMT2A 845/4885SIGMAR1 3806/4885

“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.