SCHEMBL4629419

SCHEMBL4629419

COc1cc(C(=O)NC(N)=NCCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.85
SCN2A Q99250 10/20 0.85
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
SMO Q99835 3/20 0.54
KMT2A Q03164 1/20 0.51

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
SCHEMBL4628492 0.92 SCN5A (1.00) SCN5ASCN2ALMNAHTTSMN1; SMN2
SCHEMBL4628726 0.82 SCN5A (0.66) SCN5ASCN2ALMNAHTTSMN1; SMN2
SCHEMBL4628697 0.82 SCN2A (0.84) SCN5ASCN2ALMNAHTTALDH1A1
SCHEMBL4629473 0.81 SCN2A (0.64) SCN5ASCN2AL3MBTL1ALDH1A1KDM4E
SCHEMBL4628482 0.80 KMT2A (0.66) SCN5ASCN2ALMNASMN1; SMN2L3MBTL1
SCHEMBL4629436 0.78 SCN2A (1.00) SCN5ASCN2A
SCHEMBL4628764 0.75 SCN2A (0.85) SCN5ASCN2AHTTSMN1; SMN2L3MBTL1
SCHEMBL4629411 0.75 LMNA (0.65) SCN5ASCN2ALMNAHTTSMN1; SMN2
SCHEMBL4629035 0.75 SCN2A (0.83) SCN5ASCN2ALMNASMN1; SMN2L3MBTL1
SCHEMBL29728817 0.75 SMO (0.82) SCN5ASCN2ALMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN5A 1196/4885SCN2A 1613/4885LMNA 1283/4885

“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.