SCHEMBL3756873

SCHEMBL3756873

COc1c(Cl)c(C)c(C(C)=O)c(OCCN2CCOCC2)c1OCCCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
POLB P06746 1/20 0.41
SYK P43405 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
QPCT Q16769 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 4/20 0.40
HTR2A P28223 3/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GRM2 Q14416 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL9972734 0.92 MEN1 (0.42) MEN1KMT2ASIGMAR1POLBSYK
SCHEMBL3392598 0.92 MEN1 (0.44) MEN1KMT2ASIGMAR1SYKCYP2D6
SCHEMBL3392645 0.85 MEN1 (0.41) MEN1KMT2ASIGMAR1POLBSYK
SCHEMBL3416674 0.83 MEN1 (0.48) MEN1KMT2ASIGMAR1POLBSYK
SCHEMBL3389006 0.83 POLB (0.42) MEN1KMT2APOLBCYP2D6TSHR
SCHEMBL3752069 0.82 KCNA3 (0.38)
SCHEMBL13870626 0.82 HRH3 (0.45) MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL3393037 0.82 MEN1 (0.39) MEN1KMT2ASIGMAR1POLBSYK
SCHEMBL3609684 0.82 KCNA3 (0.45) MEN1KMT2AKDM4EALDH1A1HTR1A
SCHEMBL3392789 0.80 S1PR5 (0.41) MEN1KMT2ASIGMAR1KDM4EALDH1A1

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 9 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
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 737/4885SIGMAR1 3242/4885

“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.