SCHEMBL4628513

SCHEMBL4628513

CC(C)Oc1ccc(N=C(N)NC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.60
SCN5A Q14524 3/20 0.60
PLG P00747 2/20 0.48
PLAU P00749 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PLK1 P53350 1/20 0.44
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PNLIP P16233 1/20 0.40
PIK3CA P42336 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL4627444 0.85 SCN2A (0.57) SCN2ASCN5AMEN1KMT2APLK1
SCHEMBL4628769 0.81 SCN2A (0.79) SCN2ASCN5AMEN1KMT2ANPC1
SCHEMBL4629268 0.80 SCN2A (0.64) SCN2ASCN5APLAUMEN1KMT2A
SCHEMBL17590500 0.79 SCN2A (0.71) SCN2ASCN5APLGPLAUMEN1
SCHEMBL7114547 0.78 SCN2A (0.51) SCN2ASCN5AMEN1KMT2APLK1
Hydrochloric Acid SCHEMBL7108690 0.77 SCN2A (0.50) SCN2ASCN5AMEN1KMT2APLK1
SCHEMBL4628504 0.77 MEN1 (0.58) MEN1KMT2APLK1NPC1RAB9A
SCHEMBL4628520 0.75 SCN2A (1.00) SCN2ASCN5AMEN1KMT2ANPC1
SCHEMBL4629391 0.75 SCN2A (0.81) SCN2ASCN5AKMT2APLK1NPC1
SCHEMBL7111671 0.74 SCN2A (0.54) SCN2ASCN5AMEN1KMT2APLK1

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 6 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

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 1196/4885PLG 32/4885

“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.