SCHEMBL4687408

SCHEMBL4687408

CC(C)C(=O)c1csc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.42
NOS1 P29475 1/20 0.42
HSD17B10 Q99714 4/20 0.42
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
PIK3CG P48736 1/20 0.36
GFER P55789 1/20 0.35
LTA4H P09960 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL13851717 0.78 TLR7 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL965863 0.78
SCHEMBL27662308 0.77 ALDH1A1 (0.55) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7029471 0.77 TLR7 (0.51) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL10205118 0.77 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL12862528 0.77 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL19914329 0.77 NPC1 (0.51) ALDH1A1MAPTNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL4683596 0.76 MAPT (0.59) ALDH1A1MAPTNPC1RAB9AMEN1
Bromide SCHEMBL856330 0.76 MAPT (0.54) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL94064 0.75

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 EP disclosed
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 EP disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 US disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU ALDH1A1 552/4885MAPT 2100/4885NPC1 3832/4885

“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.