SCHEMBL2178252

SCHEMBL2178252

CCN(CC)CCOc1c(C(C)=O)c(C)c2nc(C)oc2c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
EGFR P00533 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
ESR1 P03372 1/20 0.31
ADAM17 P78536 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAOB P27338 1/20 0.31
ACACB O00763 1/20 0.30
KCNA3 P22001 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2178939 0.91 KCNA3 (0.31) KDM4EALDH1A1HTR2CKCNA3
SCHEMBL2178824 0.90 KCNA3 (0.32) KCNA3
SCHEMBL1542536 0.89 ADORA2A (0.31) KDM4EALDH1A1LMNAHTR2AHTR2C
SCHEMBL12409102 0.88 METAP2 (0.33) KCNA3
SCHEMBL2178974 0.88 KCNA3 (0.37) KCNA3
SCHEMBL2178643 0.85 KCNA3 (0.31) KCNA3
SCHEMBL12409105 0.84
SCHEMBL12409194 0.84
SCHEMBL12409110 0.84
SCHEMBL2176322 0.84 GAA (0.34)

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 KDM4E 653/4885ALDH1A1 4002/4885LMNA 2249/4885

“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.