SCHEMBL3388974

SCHEMBL3388974

COc1c(C)c(C)c(C(C)=O)c(OCCc2ccccn2)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SYK P43405 1/20 0.36
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
KCNA3 P22001 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3392182 0.92 MEN1 (0.36) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL3762890 0.86 KCNA3 (0.39) ALDH1A1KCNA3MAPTHTT
SCHEMBL3391193 0.86 SYK (0.39) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL3611897 0.84 MEN1 (0.35) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL3621211 0.84 KCNA3 (0.43) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL3393005 0.84 MEN1 (0.37) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL2179404 0.84 MEN1 (0.35) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL2179535 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL2177504 0.81 MEN1 (0.34) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL3761724 0.80 KCNA3 (0.37) MEN1KMT2AALDH1A1RAB9ANPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US claimed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US claimed
EP-2197832-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF Bionomics Limited (AU) 2010-06-23 EP claimed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 WO claimed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 MEN1 4032/4885KMT2A 737/4885ALDH1A1 2549/4885

“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.