SCHEMBL4628571

SCHEMBL4628571

CCOc1ccc(C(=O)NC(N)=Nc2ccccc2C(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 8/20 0.72
SCN5A Q14524 6/20 0.72
PLK1 P53350 1/20 0.50
NPSR1 Q6W5P4 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
HPGD P15428 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48

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
SCHEMBL4628998 0.92 SCN2A (0.68) SCN2ASCN5APLK1SIGMAR1HPGD
SCHEMBL4628958 0.85 SCN2A (0.82) SCN2ASCN5ACYP1A2HTTSIGMAR1
SCHEMBL4628748 0.84 SCN2A (1.00) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4628747 0.78 SCN2A (0.76) SCN2ASCN5APLK1NPSR1CYP1A2
SCHEMBL4627567 0.76 SCN5A (0.64) SCN2ASCN5AALOX12SIGMAR1GRIN2D
SCHEMBL4628716 0.74 SCN2A (0.69) SCN2ASCN5ANPSR1SIGMAR1HPGD
SCHEMBL28912681 0.74 PLK1 (0.72) SCN2ASCN5APLK1NPSR1CYP1A2
SCHEMBL4629404 0.73 SCN2A (0.64) SCN2ASCN5ASIGMAR1GRIN2DGRIN3B
SCHEMBL4628764 0.73 SCN2A (0.85) SCN2ASCN5APLK1NPSR1CYP1A2
SCHEMBL4628567 0.73 KMT2A (0.53) PLK1NPSR1CYP1A2CYP3A4CYP2D6

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 1196/4885PLK1 3759/4885

“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.