SCHEMBL5898544

SCHEMBL5898544

CCC(O)(CCC(N)=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
SSTR4 P31391 1/20 0.36
CYP3A4 P08684 1/20 0.36
KIF11 P52732 2/20 0.35
FDPS P14324 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPY1R P25929 1/20 0.34
HTT P42858 1/20 0.34
NPY2R P49146 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5898527 0.85 TSHR (0.39) TSHRSSTR4CYP3A4KIF11FDPS
SCHEMBL8360630 0.83 MAPT (0.43) TSHRCYP3A4MAPTLMNAMEN1
SCHEMBL28818757 0.78 L3MBTL1 (0.36) TSHRSSTR4KIF11FDPSSLC6A2
SCHEMBL8363513 0.77 KCNN4 (0.49)
SCHEMBL6266034 0.77 CES2 (0.39) CYP3A4KIF11SLC6A4NPSR1LMNA
SCHEMBL5898567 0.77 ALDH1A1 (0.38) TSHRKIF11NPSR1LMNAMEN1
SCHEMBL5898545 0.76 MAPT (0.43) KIF11MAPTLMNAHTTKMT2A
SCHEMBL5898535 0.75 SCN5A (0.46) TSHRSSTR4CYP3A4KIF11SCN5A
SCHEMBL8588900 0.74 TSHR (0.44) TSHRSSTR4CYP3A4KIF11FDPS
SCHEMBL7510866 0.73 KIF11 (0.38) TSHRSSTR4CYP3A4KIF11MEN1

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 TSHR 3345/4885SSTR4 2215/4885CYP3A4 291/4885

“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.