SCHEMBL6718586

SCHEMBL6718586

COc1ccccc1NC(=O)C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 9/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 6/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL6715739 0.91 MEN1 (0.56) SMN1; SMN2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL6715736 0.87 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6716834 0.86 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL6713812 0.86 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL6723832 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL6717195 0.85 MAPT (0.54) SMN1; SMN2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL6716952 0.84 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6717494 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6715742 0.84 NPC1 (0.56) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6719258 0.84 KMT2A (0.51) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 SMN1; SMN2 1805/4885ALDH1A1 572/4885MAPK1 1336/4885

“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.