SCHEMBL2177920

SCHEMBL2177920

COc1cc(Cl)[c]c(O)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KCNH2 Q12809 1/20 0.32
GCGR P47871 5/20 0.32
ADCYAP1R1 P41586 2/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
TACR1 P25103 1/20 0.31
CFD P00746 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
SCHEMBL1542186 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL1543309 0.78 GCGR (0.37) SMN1; SMN2GAAGCGRADCYAP1R1L3MBTL1
SCHEMBL3749425 0.78 SYK (0.40) SMN1; SMN2KCNH2KMT2AL3MBTL1MAPT
SCHEMBL1542332 0.77 L3MBTL1 (0.37) SMN1; SMN2GAAADCYAP1R1L3MBTL1
SCHEMBL3762026 0.75 KCNA3 (0.36) SMN1; SMN2GAAGCGRL3MBTL1
SCHEMBL3756879 0.74 KCNH2 (0.36) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL3751717 0.73 KCNA3 (0.39) SMN1; SMN2GAAKMT2AL3MBTL1
SCHEMBL27833882 0.73 L3MBTL1 (0.36) SMN1; SMN2GCGRADCYAP1R1L3MBTL1
SCHEMBL27800943 0.70 SMN1; SMN2 (0.36) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL3754173 0.70 KCNA3 (0.35) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 SMN1; SMN2 3154/4885MGAM 4054/4885GAA 3476/4885

“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.