SCHEMBL2179404

SCHEMBL2179404

CC(=O)c1c(OCCc2ccccn2)c(OCCC(C)c2ccc(F)cc2)c2ocnc2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SYK P43405 1/20 0.33
RAB9A P51151 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
KCNA3 P22001 5/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
NAMPT P43490 1/20 0.31
HTT P42858 1/20 0.30
HRH2 P25021 1/20 0.30
MAPK1 P28482 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
SCHEMBL2179535 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL3621211 0.87 KCNA3 (0.43) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL2176824 0.86 KCNA3 (0.34) KCNA3
SCHEMBL12409069 0.86 KCNA3 (0.40) KCNA3
SCHEMBL2177504 0.85 MEN1 (0.34) MEN1KMT2AALDH1A1POLBGAA
Dimethylamine SCHEMBL2181506 0.84 KCNA3 (0.33) KCNA3SMN1; SMN2
SCHEMBL2181504 0.84 KCNA3 (0.33) ALDH1A1HTR2CKCNA3KDM4ESMN1; SMN2
SCHEMBL12409074 0.84 KCNA3 (0.32) KCNA3SMN1; SMN2SLC6A2
SCHEMBL3388974 0.84 MEN1 (0.38) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL2178673 0.83 KCNA3 (0.34) KCNA3

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 845/4885ALDH1A1 4002/4885

“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.