SCHEMBL4629248

SCHEMBL4629248

CC(C)c1ccc(NC(=N)NC(=O)c2cccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.64
RAB9A P51151 11/20 0.64
KMT2A Q03164 9/20 0.64
MEN1 O00255 7/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
TDP1 Q9NUW8 3/20 0.64
ALDH1A1 P00352 3/20 0.64
GAA P10253 2/20 0.64
MAPT P10636 7/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
GFER P55789 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL12218063 0.86 NPC1 (0.75) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4629429 0.82 RAB9A (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4629293 0.78 ALDH1A1 (0.47) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4629403 0.78 CRHBP (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4628952 0.77 RAB9A (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4629385 0.75 SMN1; SMN2 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4627470 0.75 ALDH1A1 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4628446 0.74 SCN5A (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4628487 0.74 SMN1; SMN2 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4627511 0.74 RAB9A (0.57) NPC1RAB9AKMT2AMEN1SMN1; 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 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 NPC1 140/4885RAB9A 617/4885KMT2A 3245/4885

“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.