SCHEMBL4628748

SCHEMBL4628748

Cc1ccc(C(=O)NC(N)=Nc2ccccc2C(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 16/20 1.00
SCN5A Q14524 13/20 1.00
SIGMAR1 Q99720 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TPH1 P17752 1/20 0.46

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
SCHEMBL4628958 0.91 SCN2A (0.82) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4628571 0.84 SCN2A (0.72) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4628716 0.82 SCN2A (0.69) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4628998 0.81 SCN2A (0.68) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4629286 0.79 SCN2A (1.00) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL2153753 0.79 SCN2A (0.64) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL12463994 0.79 SCN2A (0.64) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL2153757 0.79 SCN2A (0.64) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4627567 0.78 SCN5A (0.64) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4629404 0.78 SCN2A (0.64) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B

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 SCN2A 1613/4885SCN5A 1196/4885SIGMAR1 2799/4885

“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.