SCHEMBL4629429

SCHEMBL4629429

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 4/20 0.49
PTBP1 P26599 1/20 0.49
TP53 P04637 1/20 0.49
GFER P55789 1/20 0.49
GAA P10253 1/20 0.47
KCNH2 Q12809 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
SCHEMBL13167587 0.86 RAB9A (0.75) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL5445846 0.84 NPC1 (0.71) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL4629248 0.82 NPC1 (0.64) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL6849612 0.80 MAPT (0.76) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL4629228 0.75 NPC1 (0.56) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL21588758 0.75 ALDH1A1 (0.57) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL4627548 0.74 NPC1 (0.73) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4628935 0.74 MEN1 (0.70) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4628987 0.73 NPC1 (0.78) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL28148837 0.73 RAB9A (0.77) RAB9ANPC1KMT2AMEN1TDP1

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 RAB9A 617/4885NPC1 140/4885KMT2A 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.