SCHEMBL6716665

SCHEMBL6716665

CCOc1ccc(NC(=S)NC(C(=O)Nc2ccccc2C)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MAPK1 P28482 3/20 0.56
PKM P14618 2/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
LMNA P02545 2/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.49

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
SCHEMBL6716681 0.92 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL8347861 0.91 MEN1 (0.56) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6715664 0.91 MEN1 (0.56) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6714090 0.90 RAB9A (0.49) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6717245 0.90 ALDH1A1 (0.49) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6713812 0.86 ALDH1A1 (0.56) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6716834 0.86 ALDH1A1 (0.56) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6716670 0.84 MAPT (0.54) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6716886 0.84 MAPT (0.58) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL6719450 0.83 MAPT (0.57) SMN1; SMN2MAPTRAB9ANPC1MAPK1

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
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
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 SMN1; SMN2 1805/4885MAPT 427/4885RAB9A 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.