SCHEMBL4628952

SCHEMBL4628952

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 3/20 0.46
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4629248 0.77 NPC1 (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4628586 0.77 NPC1 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4628738 0.75 RAB9A (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4629399 0.75 NPC1 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12218063 0.73 NPC1 (0.75) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4659371 0.72 HPGD (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4628498 0.72 CNR2 (0.57) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL4628687 0.72 ALDH1A1 (0.43) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4629250 0.71 SCN5A (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8402365 0.69 HDAC1 (0.75) RAB9ANPC1MEN1KMT2ASMN1; 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 RAB9A 617/4885NPC1 140/4885MEN1 1819/4885

“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.