SCHEMBL6495442

SCHEMBL6495442

CCOC(=O)CCC(=O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ AGTR1 P30556 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HPGD P15428 1/20 0.46

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
SCHEMBL11230506 0.84 LMNA (0.62) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL752500 0.82 MAPT (0.64) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6505055 0.82 LMNA (0.44) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3143253 0.81 LMNA (0.67) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6650881 0.81 MAPT (0.55) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3143262 0.81 LMNA (0.67) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL15088714 0.81 LMNA (0.66) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL11765445 0.80 LMNA (0.57) LMNAALDH1A1MAPTPOLBMEN1
SCHEMBL1827529 0.80 LMNA (0.56) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL12933644 0.79 LMNA (0.55) LMNAALDH1A1MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 — — 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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 LMNA 2279/4885ALDH1A1 590/4885MAPT 2172/4885

“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.

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