SCHEMBL1789625

SCHEMBL1789625

CN(C)c1ccc(CC(=O)Nn2nc(C(F)(F)F)c3ccccc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 12/20 0.48
▸ CACNA1G O43497 11/20 0.48
▸ CACNA1I Q9P0X4 11/20 0.48
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GLS O94925 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ CACNA1C Q13936 1/20 0.40

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
SCHEMBL30796164 1.00 CACNA1H (0.48) CACNA1HCACNA1GCACNA1IALDH1A1KMT2A
SCHEMBL1789193 0.89 MEN1 (0.45) CACNA1GCACNA1IALDH1A1KMT2ACNR2
SCHEMBL30814174 0.89 MEN1 (0.45) CACNA1GCACNA1IALDH1A1KMT2ACNR2
SCHEMBL30795856 0.87 LMNA (0.52) CNR2LMNAPOLB
SCHEMBL1786577 0.87 LMNA (0.52) CNR2LMNAPOLB
SCHEMBL30795173 0.86 KDM4E (0.49) CACNA1HCACNA1GCACNA1IALDH1A1KMT2A
SCHEMBL1788526 0.86 KDM4E (0.49) CACNA1HCACNA1GCACNA1IALDH1A1KMT2A
SCHEMBL30796432 0.85 PTGS2 (0.43) ALDH1A1KMT2ALMNAPOLB
SCHEMBL1786193 0.85 PTGS2 (0.43) ALDH1A1KMT2ALMNAPOLB
SCHEMBL1788705 0.82 RIOK2 (0.47) ALDH1A1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 CACNA1H 70/4885CACNA1G 60/4885CACNA1I 65/4885

“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.

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