SCHEMBL4521778

SCHEMBL4521778

COc1ccccc1C(=O)NCc1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
HPGD P15428 11/20 0.64
TP53 P04637 4/20 0.63
GLA P06280 1/20 0.63
HSD17B10 Q99714 4/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
POLB P06746 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL28221148 0.81 HPGD (0.69) HPGDTP53HSD17B10MAPTMEN1
SCHEMBL2401416 0.80 HPGD (0.71) HPGDTP53HSD17B10MAPTMEN1
SCHEMBL9730169 0.80 GAA (0.70) GAAHPGDMEN1ALDH1A1KMT2A
SCHEMBL32689555 0.80 GAA (0.70) GAAHPGDMEN1ALDH1A1KMT2A
SCHEMBL19747178 0.78 HPGD (0.69) GAAHPGDTP53HSD17B10MAPT
SCHEMBL22720161 0.78 HPGD (0.69) GAAHPGDTP53HSD17B10MAPT
SCHEMBL9728606 0.78 HPGD (0.51) GAAHPGDTP53HSD17B10MAPT
SCHEMBL27604453 0.78 HPGD (1.00) GAAHPGDTP53GLAMAPT
SCHEMBL24146266 0.78 ALDH1A1 (0.54) GAAHPGDTP53GLAHSD17B10
SCHEMBL4503121 0.77 HPGD (0.70) HPGDTP53GLAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT GAA 318/4885HPGD 3821/4885TP53 4042/4885

“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.