SCHEMBL6717145

SCHEMBL6717145

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 9/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.46
ALOX12 P18054 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 2/20 0.44
MITF O75030 1/20 0.44
HPGD P15428 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
SCHEMBL6717195 0.93 MAPT (0.54) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6717350 0.90 PHGDH (0.51) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6722741 0.90 MAPT (0.49) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6723449 0.90 SMN1; SMN2 (0.50) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6716796 0.89 SMN1; SMN2 (0.52) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8347091 0.88 HDAC1 (0.48) MAPTNPC1RAB9ASMN1; SMN2MGLL
SCHEMBL6717690 0.86 POLB (0.47) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6716834 0.83 ALDH1A1 (0.56) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6713812 0.83 ALDH1A1 (0.56) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6715742 0.83 NPC1 (0.56) 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 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 MAPT 427/4885NPC1 120/4885RAB9A 2094/4885

“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.