SCHEMBL4628501

SCHEMBL4628501

CCCCOc1ccc(C(=O)NC(N)=Nc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 7/20 0.73
SCN5A Q14524 6/20 0.73
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
PLK1 P53350 1/20 0.47
LMNA P02545 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
PARP10 Q53GL7 1/20 0.45
MMP1 P03956 1/20 0.44

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
SCHEMBL4628747 0.91 SCN2A (0.76) SCN2ASCN5APLK1SMN1; SMN2PARP10
SCHEMBL4628520 0.84 SCN2A (1.00) SCN2ASCN5APRSS1ACRLMNA
SCHEMBL4629391 0.84 SCN2A (0.81) SCN2ASCN5APRSS1ACRPLK1
SCHEMBL4628769 0.83 SCN2A (0.79) SCN2ASCN5ALMNASMN1; SMN2PARP10
SCHEMBL4984764 0.81 ADRA2A (0.56) SCN2ASCN5A
SCHEMBL17590500 0.79 SCN2A (0.71) SCN2ASCN5APRSS1ACRLMNA
SCHEMBL5276420 0.78 SCN2A (0.70) SCN2ASCN5A
SCHEMBL4628998 0.78 SCN2A (0.68) SCN2ASCN5APLK1PPARGPPARA
SCHEMBL4628500 0.76 LMNA (0.56) PLK1LMNASTAT3SMN1; SMN2
SCHEMBL4627498 0.75 SCN5A (0.66) SCN2ASCN5A

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 9 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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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 1196/4885PRSS1 433/4885

“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.