SCHEMBL4629468

SCHEMBL4629468

NC(=NCc1ccccc1)NC(=O)c1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.72
SCN5A Q14524 4/20 0.72
SIGMAR1 Q99720 3/20 0.59
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GLA P06280 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
NFKB1 P19838 1/20 0.53
SCNN1A P37088 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
FTO Q9C0B1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GMNN O75496 1/20 0.52

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
SCHEMBL4628518 0.90 SCN2A (0.60) SCN2ASCN5ASIGMAR1KDM4EHPGD
SCHEMBL4628731 0.87 SCN5A (0.84) SCN2ASCN5AKDM4EHPGDGAA
SCHEMBL4629273 0.84 SCN5A (1.00) SCN2ASCN5ASCNN1A
SCHEMBL4629449 0.82 SCN5A (0.69) SCN2ASCN5AKDM4EHPGDALDH1A1
SCHEMBL7110564 0.82 SCN5A (0.62) SCN2ASCN5AKDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL7109813 0.81 SCN5A (0.61) SCN2ASCN5AKDM4EHPGDALDH1A1
SCHEMBL7110741 0.80 SCN2A (0.59) SCN2ASCN5AKDM4EHPGDALDH1A1
SCHEMBL5427464 0.77 SCN2A (0.56) SCN2ASCN5AKDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL7110825 0.77 SCN2A (0.56) SCN2ASCN5AKDM4EHPGDALDH1A1
SCHEMBL4629230 0.76 SCN5A (0.68) SCN2ASCN5AMMP3HDAC8PLK1

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 9 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
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US 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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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 1196/4885SIGMAR1 2799/4885

“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.