SCHEMBL3390635

SCHEMBL3390635

COc1c(Cl)c(C)c(C(C)=O)c(OCCNC2CCCC2)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 2/20 0.33
ABHD6 Q9BV23 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
SCHEMBL3421337 0.92 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL9972731 0.85 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL3759772 0.84 KCNA3 (0.36)
SCHEMBL3391674 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3764771 0.83 KCNA3 (0.36)
SCHEMBL3757790 0.82 KCNA3 (0.38)
SCHEMBL3604230 0.82 KCNA3 (0.42) ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL3392797 0.82 SLC6A4 (0.41)
SCHEMBL3391183 0.81 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3615947 0.81 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2KDM4EMEN1

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 ALDH1A1 2549/4885HTT 1097/4885SMN1; SMN2 3554/4885

“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.