SCHEMBL4628697

SCHEMBL4628697

COc1ccc(C(=O)NC(N)=NCCc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 14/20 0.84
SCN5A Q14524 13/20 0.84
ALDH1A1 P00352 5/20 0.62
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL4628723 0.92 SCN5A (1.00) SCN2ASCN5A
SCHEMBL4628381 0.91 SCN5A (0.98) SCN2ASCN5A
SCHEMBL4628764 0.88 SCN2A (0.85) SCN2ASCN5AHTTNPC1RAB9A
SCHEMBL4629021 0.87 SCN5A (0.66) SCN2ASCN5AALDH1A1LMNAHTT
SCHEMBL4628794 0.87 SCN2A (0.74) SCN2ASCN5AALDH1A1HTTNPC1
SCHEMBL4628959 0.86 SCN2A (0.88) SCN2ASCN5ANPC1RAB9AMAPT
SCHEMBL4629436 0.86 SCN2A (1.00) SCN2ASCN5ANPC1RAB9A
SCHEMBL4627561 0.84 SCN2A (0.80) SCN2ASCN5AALDH1A1LMNANPC1
SCHEMBL4629035 0.83 SCN2A (0.83) SCN2ASCN5AALDH1A1LMNANPC1
SCHEMBL4629480 0.83 SCN2A (0.80) SCN2ASCN5AALDH1A1LMNARAB9A

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 SCN2A 1613/4885SCN5A 1196/4885ALDH1A1 858/4885

“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.