SCHEMBL3389899

SCHEMBL3389899

COc1c(Cl)c(C)c(C(C)=O)c(OCCNC2CCCC2)c1OCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 1/20 0.39
PDE4D Q08499 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
SCHEMBL3435959 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL9972731 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL3763110 0.81 PDE4D (0.43) SMN1; SMN2PDE4D
SCHEMBL3612930 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL13870626 0.80 HRH3 (0.45) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL3390635 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL3757808 0.78 PDE4D (0.45) PDE4D
SCHEMBL3392942 0.78 PDE4D (0.39) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL3752050 0.76 PDE4D (0.38) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL3392789 0.76 S1PR5 (0.41) ALDH1A1KDM4EKMT2AMEN1PDE4D

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

“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.