SCHEMBL6723757

SCHEMBL6723757

COc1ccc(NC(=O)N(S)C(C(=O)Nc2c(C)cccc2Cl)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 2/20 0.48
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 2/20 0.44
OPRK1 P41145 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
CYP2C9 P11712 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
SCHEMBL6715694 0.94 RAB9A (0.52) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6714420 0.90 RAB9A (0.53) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6717674 0.89 RAB9A (0.47) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6715668 0.89 RAB9A (0.53) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6715421 0.86 RAB9A (0.47) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6723841 0.85 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6716685 0.85 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6718737 0.85 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6719452 0.85 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6723624 0.85 LMNA (0.52) MAPTRAB9ANPC1SMN1; SMN2MAPK1

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 2094/4885NPC1 120/4885

“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.