SCHEMBL4687191

SCHEMBL4687191

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 3/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
ATAD2 Q6PL18 1/20 0.50
HPGD P15428 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL3790984 0.88 NPC1 (0.66) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4683892 0.81 ATAD2 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3610148 0.81 FFAR2 (0.51) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL21484911 0.77 ABL1 (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL27184002 0.76 SMN1; SMN2 (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2441697 0.76 ATAD2 (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2441700 0.76 ATAD2 (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1691061 0.76 MAPT (0.68) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL20788543 0.75 NPC1 (0.77) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11222516 0.75 NPC1 (0.62) NPC1RAB9AALDH1A1MEN1KMT2A

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
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
CN-101006085-A Substituted hydantoins HOFFMANN LA ROCHE (CH) 2007-07-25 CN 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 NPC1 3832/4885RAB9A 764/4885ALDH1A1 552/4885

“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.