SCHEMBL6716952

SCHEMBL6716952

CCc1ccccc1NC(=O)C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6716834 0.87 ALDH1A1 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6713812 0.87 ALDH1A1 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6723832 0.86 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6717195 0.85 MAPT (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6717494 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6715742 0.85 NPC1 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6717232 0.84 ALDH1A1 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6718586 0.84 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6717381 0.84 ALDH1A1 (0.57) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6717122 0.84 MAPT (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT

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 3 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
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 1805/4885KMT2A 2020/4885MEN1 2933/4885

“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.