SCHEMBL6719441

SCHEMBL6719441

Cc1ccccc1N(C(=O)C1CCCCC1)N(C(N)=S)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 5/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6717391 0.99 LMNA (0.38) OPRM1LMNAALDH1A1HSD17B10KMT2A
SCHEMBL6713841 0.95 HSD17B10 (0.39) LMNAALDH1A1HSD17B10KMT2AGRIN2D
SCHEMBL6713817 0.88 ALDH1A1 (0.40) LMNAALDH1A1KMT2ASIGMAR1MEN1
SCHEMBL6723513 0.85 ALDH1A1 (0.39) LMNAALDH1A1KMT2AMEN1NPC1
SCHEMBL6722876 0.85 ALDH1A1 (0.39) OPRM1LMNAALDH1A1KMT2AMEN1
SCHEMBL6718458 0.83 ALDH1A1 (0.42) OPRM1ALDH1A1KMT2ASIGMAR1MEN1
SCHEMBL6718318 0.82 OPRM1 (0.41) OPRM1LMNAALDH1A1KMT2AMEN1
SCHEMBL6719625 0.78 OPRM1 (0.39) OPRM1LMNAKMT2AMEN1NPC1
SCHEMBL6722821 0.77 NPC1 (0.41) OPRM1LMNAALDH1A1KMT2AMEN1
SCHEMBL6726655 0.76 IDH1 (0.38) OPRM1LMNA

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 OPRM1 905/4885LMNA 3700/4885ALDH1A1 572/4885

“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.