SCHEMBL4629435

SCHEMBL4629435

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.43
HDAC1 Q13547 1/20 0.43
LMNA P02545 2/20 0.41
PTBP1 P26599 1/20 0.41
MEN1 O00255 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
SCHEMBL4629250 0.82 SCN5A (0.60) ALDH1A1SMN1; SMN2MAPTSCN5ASCN2A
SCHEMBL4629231 0.76 SCN2A (0.69) SMN1; SMN2MAPTSCN5ASCN2ASLC22A2
SCHEMBL4627551 0.75 POLB (0.59) ALDH1A1SMN1; SMN2SCN5ASCN2ASLC22A2
SCHEMBL4628939 0.74 KMT2A (0.54) SMN1; SMN2MAPTHTTSCN5ASCN2A
SCHEMBL4628996 0.74 SCN2A (0.65) ALDH1A1MAPTHTTSCN5ASCN2A
SCHEMBL13167587 0.74 RAB9A (0.75) ALDH1A1SMN1; SMN2MAPTHTTNPC1
SCHEMBL4629429 0.73 RAB9A (0.55) ALDH1A1SMN1; SMN2MAPTHTTMCOLN3
SCHEMBL5445846 0.73 NPC1 (0.71) ALDH1A1SMN1; SMN2MAPTHTTMCOLN3
SCHEMBL4628531 0.72 RAB9A (0.56) ALDH1A1SMN1; SMN2MAPTHTTSCN5A
SCHEMBL4628685 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SCN2ASLC22A2SLC22A1

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 ALDH1A1 858/4885SMN1; SMN2 53/4885MAPT 705/4885

“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.