SCHEMBL6715692

SCHEMBL6715692

COc1ccc(NC(=S)NC(C(=O)Nc2c(C)cccc2C)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.55
KMT2A Q03164 10/20 0.55
ALDH1A1 P00352 12/20 0.55
MAPT P10636 11/20 0.55
TP53 P04637 2/20 0.55
NPSR1 Q6W5P4 5/20 0.54
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 3/20 0.53
POLB P06746 2/20 0.53
OPRK1 P41145 1/20 0.53
HTT P42858 4/20 0.53
LMNA P02545 3/20 0.53
NPY1R P25929 1/20 0.52
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6717668 0.94 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL6723754 0.94 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL8348052 0.93 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL8347861 0.92 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL6715664 0.92 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL6716681 0.91 SMN1; SMN2 (0.55) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL6715419 0.90 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL6717157 0.90 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL6714027 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL8345935 0.89 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTTP53

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 MEN1 2933/4885KMT2A 2020/4885ALDH1A1 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.