SCHEMBL4628985

SCHEMBL4628985

CC(C)c1ccc(N=C(N)NC(=O)c2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.64
SCN2A Q99250 2/20 0.64
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
TP53 P04637 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 6/20 0.52
GAA P10253 4/20 0.52
AGTR1 P30556 1/20 0.51
LMNA P02545 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HDAC1 Q13547 1/20 0.44

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
SCHEMBL4629406 0.84 SCN2A (0.78) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628531 0.83 RAB9A (0.56) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628494 0.78 SCN2A (0.80) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628449 0.78 SCN2A (1.00) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4627476 0.75 SCN2A (0.69) SCN2ANPC1RAB9ASMN1; SMN2GAA
SCHEMBL4629431 0.75 SCN2A (0.70) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628730 0.75 SCN2A (0.74) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL21561728 0.75 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL4629297 0.74 SCN5A (0.62) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628979 0.74 NPC1 (0.76) NPC1RAB9ATP53SMN1; SMN2ALDH1A1

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 SCN5A 1196/4885SCN2A 1613/4885NPC1 140/4885

“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.