SCHEMBL2459994

SCHEMBL2459994

COc1cc(/C=C/C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 19/20 0.92
ABCG2 Q9UNQ0 17/20 0.92
ABCC1 P33527 15/20 0.92
SCN1A P35498 1/20 0.76
SCN2A Q99250 1/20 0.76
SCN3A Q9NY46 1/20 0.76

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
SCHEMBL2459996 1.00 ABCB1 (0.92) ABCB1ABCG2ABCC1SCN1ASCN2A
Hexobendine SCHEMBL125629 0.87 SCN1A (1.00) ABCB1ABCG2ABCC1SCN1ASCN2A
Hexobendine SCHEMBL317378 0.86 SCN1A (0.97) ABCB1ABCG2ABCC1SCN1ASCN2A
Hexobendine SCHEMBL2459088 0.86 SCN1A (0.97) ABCB1ABCG2ABCC1SCN1ASCN2A
Hexobendine SCHEMBL10402178 0.86 SCN1A (0.97) ABCB1ABCG2ABCC1SCN1ASCN2A
SCHEMBL2455198 0.82 SLC29A1 (0.77) ABCB1ABCG2ABCC1SCN1ASCN2A
SCHEMBL2455200 0.82 SLC29A1 (0.77) ABCB1ABCG2ABCC1SCN1ASCN2A
SCHEMBL17459720 0.79 ALOX5 (0.67) ABCB1ABCG2ABCC1
SCHEMBL17459718 0.79 ALOX5 (0.67) ABCB1ABCG2ABCC1
SCHEMBL2459622 0.78 SCN1A (0.82) ABCB1ABCG2ABCC1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ABCB1 3111/4885ABCG2 4722/4885ABCC1 2755/4885

“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.