SCHEMBL5898541

SCHEMBL5898541

CCC(O)(C(N)=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.52
TSHR P16473 5/20 0.49
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.44
SCN5A Q14524 3/20 0.44
SCN9A Q15858 3/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
F2 P00734 1/20 0.43
ACHE P22303 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4369637 0.87 PTPRC (0.54) PTPRCTSHRALDH1A1LMNACES2
SCHEMBL4656742 0.83 PTPRC (0.52) PTPRCTSHRALDH1A1LMNACES2
SCHEMBL1644927 0.79 PTPRC (0.57) PTPRCTSHRALDH1A1LMNACES2
SCHEMBL31303067 0.79 PTPRC (0.57) PTPRCTSHRALDH1A1LMNACES2
SCHEMBL13946506 0.76 MAPT (0.55) LMNASCN5ASCN9AL3MBTL1
SCHEMBL3837958 0.76 MAPT (0.55) LMNASCN5ASCN9AL3MBTL1
SCHEMBL13946510 0.76 MAPT (0.55) LMNASCN5ASCN9AL3MBTL1
SCHEMBL4001103 0.76 SCN5A (0.48) ALDH1A1SCN5ASCN9ACES2SMN1; SMN2
SCHEMBL5898552 0.76 SCN5A (0.48) ALDH1A1SCN5ASCN9AHPGDL3MBTL1
SCHEMBL15271675 0.76 TSHR (0.54) PTPRCTSHRALDH1A1LMNACES2

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 PTPRC 4084/4885TSHR 3345/4885ALDH1A1 905/4885

“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.