SCHEMBL6722741

SCHEMBL6722741

O=C(Nc1ccc(Br)cc1)C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
S1PR3 Q99500 1/20 0.47
FPR2 P25090 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 6/20 0.44
GBA1 P04062 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CNR1 P21554 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6717195 0.92 MAPT (0.54) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6717145 0.90 MAPT (0.50) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6717350 0.89 PHGDH (0.51) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6723449 0.89 SMN1; SMN2 (0.50) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6716796 0.88 SMN1; SMN2 (0.52) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6717690 0.85 POLB (0.47) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6713812 0.83 ALDH1A1 (0.56) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6716834 0.83 ALDH1A1 (0.56) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6715742 0.83 NPC1 (0.56) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6717586 0.82 MEN1 (0.49) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 MAPT 694/4885NPC1 119/4885RAB9A 1608/4885

“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.