SCHEMBL3615947

SCHEMBL3615947

CC(=O)c1c(C)c2c(c(OCCC(C)c3ccc(F)cc3)c1OCCNC1CCCC1)OCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 7/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ABHD6 Q9BV23 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 0.85 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL3604230 0.82 KCNA3 (0.42) ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL3390635 0.81 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL3611897 0.80 MEN1 (0.35) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL2177457 0.80 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL3608161 0.73 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL3762890 0.69 KCNA3 (0.39) ALDH1A1HTT
SCHEMBL3613725 0.67 KCNA3 (0.44) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL9972731 0.67 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL3394410 0.67 MEN1 (0.42) ALDH1A1KDM4ETSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US claimed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US 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-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 ALDH1A1 2900/4885HTT 1658/4885SMN1; SMN2 2141/4885

“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.