SCHEMBL6726583

SCHEMBL6726583

COc1ccc([N+](=O)[O-])cc1NC(=S)NC(C(=O)Nc1cc(C)cc(C)c1)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
MEN1 O00255 10/20 0.50
KMT2A Q03164 10/20 0.50
LMNA P02545 8/20 0.50
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
BLM P54132 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
EPHX1 P07099 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
SCHEMBL6718768 0.92 KMT2A (0.51) HTTMEN1KMT2ALMNAMAPT
SCHEMBL8334628 0.90 MEN1 (0.49) HTTMEN1KMT2ALMNAMAPT
SCHEMBL6726773 0.88 MEN1 (0.62) HTTMEN1KMT2ALMNAMAPT
SCHEMBL6723227 0.87 MEN1 (0.53) HTTMEN1KMT2ALMNAMAPT
SCHEMBL8336995 0.86 MEN1 (0.47) HTTMEN1KMT2ALMNAMAPT
SCHEMBL6726588 0.82 MEN1 (0.46) HTTMEN1KMT2ALMNAMAPT
SCHEMBL8328544 0.82 MEN1 (0.54) HTTMEN1KMT2ALMNAMAPT
SCHEMBL6715985 0.82 MEN1 (0.51) HTTMEN1KMT2ALMNAMAPT
SCHEMBL8334611 0.81 ALDH1A1 (0.62) HTTMEN1KMT2ALMNAMAPT
SCHEMBL8328720 0.81 ALDH1A1 (0.64) HTTMEN1KMT2ALMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 HTT 284/4885MEN1 2822/4885KMT2A 1656/4885

“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.