SCHEMBL5217898

SCHEMBL5217898

C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(-c2nccs2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 1/20 0.52
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP19A1 P11511 1/20 0.52
CYP2C9 P11712 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNB1 Q14721 8/20 0.49
KCNA5 P22460 1/20 0.48
HDAC3 O15379 1/20 0.45

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
SCHEMBL5217913 1.00 TDP1 (0.60) TDP1LMNAKCNQ3KCNQ2CYP1A2
SCHEMBL5221624 1.00 TDP1 (0.60) TDP1LMNAKCNQ3KCNQ2CYP1A2
SCHEMBL5217905 1.00 TDP1 (0.60) TDP1LMNAKCNQ3KCNQ2CYP1A2
SCHEMBL5216445 0.87 KCNB1 (0.47) TDP1KCNB1KCNA5
SCHEMBL5215977 0.87 KCNB1 (0.47) TDP1KCNB1KCNA5
SCHEMBL5215987 0.87 KCNB1 (0.47) TDP1KCNB1KCNA5
SCHEMBL5215984 0.87 KCNB1 (0.47) TDP1KCNB1KCNA5
SCHEMBL6647298 0.83 TDP1 (0.63) TDP1LMNAKCNQ3KCNQ2CYP1A2
SCHEMBL6625980 0.83 TDP1 (0.63) TDP1LMNAKCNQ3KCNQ2CYP1A2
SCHEMBL6647292 0.83 TDP1 (0.63) TDP1LMNAKCNQ3KCNQ2CYP1A2

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
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP claimed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP claimed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO 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
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US 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 TDP1 3936/4885LMNA 1313/4885KCNQ3 1/4885

“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.