SCHEMBL6716685

SCHEMBL6716685

CCOc1ccc(NC(=O)N(S)C(C(=O)Nc2c(C)cccc2C)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 6/20 0.52
MAPK1 P28482 4/20 0.52
PKM P14618 2/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 4/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.44
CYP1A2 P05177 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL6716670 0.93 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6715694 0.91 RAB9A (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6717161 0.87 ALDH1A1 (0.53) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6717674 0.86 RAB9A (0.47) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6723757 0.85 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6713993 0.85 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6714096 0.85 RAB9A (0.47) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6713799 0.85 KMT2A (0.49) MAPTSMN1; SMN2MAPK1POLBKMT2A
SCHEMBL6716681 0.83 SMN1; SMN2 (0.55) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6715668 0.83 RAB9A (0.53) MAPTRAB9ASMN1; SMN2NPC1MAPK1

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 4 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 claimed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO claimed
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 427/4885RAB9A 2094/4885SMN1; SMN2 1805/4885

“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.