SCHEMBL2459622

SCHEMBL2459622

COc1cc(C(=O)OCCCN(C)C)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.82
SCN2A Q99250 2/20 0.82
SCN3A Q9NY46 2/20 0.82
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
THPO P40225 2/20 0.67
MTOR P42345 2/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
PMP22 Q01453 2/20 0.66
SLC29A1 Q99808 6/20 0.63
ABCB1 P08183 6/20 0.61
ABCC1 P33527 6/20 0.61
ABCG2 Q9UNQ0 6/20 0.61
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ABCC4 O15439 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CHRM3 P20309 1/20 0.59

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
Hydrochloric Acid SCHEMBL7883012 0.93 MEN1 (0.77) SCN1ASCN2ASCN3ACYP3A4CYP2D6
Hexobendine SCHEMBL125629 0.90 SCN1A (1.00) SCN1ASCN2ASCN3ACYP3A4CYP2D6
Hexobendine SCHEMBL10402178 0.89 SCN1A (0.97) SCN1ASCN2ASCN3ACYP3A4CYP2D6
Hexobendine SCHEMBL2459088 0.89 SCN1A (0.97) SCN1ASCN2ASCN3ACYP3A4CYP2D6
Hexobendine SCHEMBL317378 0.89 SCN1A (0.97) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL23883392 0.88 SCN1A (0.64) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL24011967 0.87 SCN1A (0.63) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL24011968 0.85 SCN1A (0.60) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL27795094 0.85 SCN1A (0.60) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL24016822 0.84 SCN1A (0.59) SCN1ASCN2ASCN3ACYP3A4CYP2D6

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 SCN1A 755/4885SCN2A 1235/4885SCN3A 530/4885

“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.