SCHEMBL4628448

SCHEMBL4628448

NC(=NCCCCc1ccccc1)NC(=O)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 16/20 1.00
SCN2A Q99250 16/20 1.00
NPC1 O15118 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SCNN1A P37088 3/20 0.55

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
SCHEMBL4628471 0.91 SCN5A (0.84) SCN5ASCN2ANPC1CYP1A2CYP2C9
SCHEMBL4629281 0.83 SCN2A (0.71) SCN5ASCN2ANPC1CYP1A2CYP2C9
SCHEMBL4629470 0.82 SCN5A (0.83) SCN5ASCN2ASCNN1A
SCHEMBL4628434 0.81 SCN5A (0.68) SCN5ASCN2ANPC1CYP1A2CYP2C9
SCHEMBL4628444 0.80 SCN5A (0.70) SCN5ASCN2ANPC1
SCHEMBL4628745 0.79 SCN5A (0.65) SCN5ASCN2ANPC1
SCHEMBL4628962 0.77 SCN5A (1.00) SCN5ASCN2ASCNN1A
SCHEMBL4629432 0.77 SCN2A (1.00) SCN5ASCN2A
SCHEMBL4628688 0.77 SCN5A (1.00) SCN5ASCN2ASCNN1A
SCHEMBL4627593 0.76 SCN2A (1.00) SCN5ASCN2A

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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN5A 1196/4885SCN2A 1613/4885NPC1 140/4885

“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.