SCHEMBL5898552

SCHEMBL5898552

CCC(O)(C(N)=O)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.48
SCN9A Q15858 3/20 0.48
PARP1 P09874 1/20 0.47
GAA P10253 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KIF11 P52732 1/20 0.41
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
C1S P09871 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL5898573 0.83 OGG1 (0.41) SCN5ASCN9AGAAKIF11SMN1; SMN2
SCHEMBL6014096 0.82 PARP1 (0.49) SCN5ASCN9APARP1GAACA1
SCHEMBL3837958 0.81 MAPT (0.55) SCN5ASCN9AKIF11KMT2AL3MBTL1
SCHEMBL13946506 0.81 MAPT (0.55) SCN5ASCN9AKIF11KMT2AL3MBTL1
SCHEMBL13946510 0.81 MAPT (0.55) SCN5ASCN9AKIF11KMT2AL3MBTL1
SCHEMBL4001103 0.81 SCN5A (0.48) SCN5ASCN9AGAASMN1; SMN2KMT2A
SCHEMBL16056375 0.76 KMT2A (0.60) PARP1GAACA1CA2CA5A
SCHEMBL5898541 0.76 PTPRC (0.52) SCN5ASCN9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL1525128 0.75 CA1 (0.41) PARP1GAACA1CA2CA5A
SCHEMBL31292746 0.74 RIPK1 (0.42) PARP1GAACA1CA2CA5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 US disclosed
US-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 US disclosed
WO-2003091201-A1 DL-HYDROXY-ALKYL-PHENYLAMIDES HAVING ANTICONVULSIVE ACTIVITY MEZA TOLEDO SERGIO ENRIQUE (MX) 2003-11-06 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-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity GABRB2, HRH3, HRH4 SCN5A 338/4885SCN9A 903/4885PARP1 4118/4885

“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.