SCHEMBL6715419

SCHEMBL6715419

COc1ccc(NC(=S)NC(C(=O)Nc2c(C)ccc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.57
MAPT P10636 11/20 0.57
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
NPSR1 Q6W5P4 5/20 0.57
HTT P42858 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
LMNA P02545 3/20 0.57
TP53 P04637 2/20 0.50
POLB P06746 2/20 0.49
OPRK1 P41145 1/20 0.49
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
MAPK1 P28482 1/20 0.48
NPY1R P25929 1/20 0.46
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL6715692 0.90 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6723754 0.86 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6717668 0.86 MEN1 (0.54) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8347861 0.85 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6715664 0.85 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8348052 0.85 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6719450 0.84 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8345935 0.84 MEN1 (0.59) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6715421 0.84 RAB9A (0.47) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6716886 0.84 MAPT (0.58) ALDH1A1MAPTMEN1KMT2ANPSR1

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 3 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
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 ALDH1A1 572/4885MAPT 427/4885MEN1 2933/4885

“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.