SCHEMBL5215977

SCHEMBL5215977

C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(-c2nccs2)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 7/20 0.47
KCNA5 P22460 1/20 0.46
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5216445 1.00 KCNB1 (0.47) KCNB1KCNA5TDP1
SCHEMBL5215987 1.00 KCNB1 (0.47) KCNB1KCNA5TDP1
SCHEMBL5215984 1.00 KCNB1 (0.47) KCNB1KCNA5TDP1
SCHEMBL5221624 0.87 TDP1 (0.60) KCNB1KCNA5TDP1
SCHEMBL5217913 0.87 TDP1 (0.60) KCNB1KCNA5TDP1
SCHEMBL5217905 0.87 TDP1 (0.60) KCNB1KCNA5TDP1
SCHEMBL5217898 0.87 TDP1 (0.60) KCNB1KCNA5TDP1
SCHEMBL6624883 0.85 TDP1 (0.44) TDP1
SCHEMBL6672823 0.85 TDP1 (0.44) TDP1
SCHEMBL6672822 0.85 TDP1 (0.44) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US claimed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 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-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 KCNB1 15/4885KCNA5 10/4885TDP1 3936/4885

“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.