SCHEMBL3388971

SCHEMBL3388971

COc1c(Cl)c(C)c(C(C)=O)c(OCCn2ccnc2)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP19A1 P11511 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TBXAS1 P24557 4/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL3756184 0.85 CYP19A1 (0.39) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3759772 0.83 KCNA3 (0.36)
SCHEMBL3764771 0.82 KCNA3 (0.36)
SCHEMBL3391183 0.82 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL3762540 0.82 SLC6A2 (0.33)
SCHEMBL2179188 0.82 LMNA (0.43) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3391226 0.82 TACR1 (0.37) ACACB
SCHEMBL3388955 0.82 CYP2C9 (0.33) SMN1; SMN2
SCHEMBL3757790 0.82 KCNA3 (0.38)
SCHEMBL2180100 0.82 LMNA (0.43) LMNASMN1; SMN2ALDH1A1KMT2AMEN1

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
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-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 LMNA 2758/4885SMN1; SMN2 3554/4885ALDH1A1 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.