SCHEMBL6723231

SCHEMBL6723231

COc1ccc([N+](=O)[O-])cc1NC(=O)N(S)C(C(=O)Nc1ccccc1C)c1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 9/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KCNMA1 Q12791 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
BLM P54132 1/20 0.43
CYP2C9 P11712 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 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
SCHEMBL6720022 0.91 MEN1 (0.63) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6726588 0.88 MEN1 (0.46) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6726369 0.85 MEN1 (0.61) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6715991 0.85 MEN1 (0.47) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6717476 0.83 MAPT (0.41) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL6726485 0.83 MEN1 (0.60) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6723227 0.83 MEN1 (0.53) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6726539 0.82 MEN1 (0.58) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6719896 0.81 MEN1 (0.64) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL6722820 0.81 MEN1 (0.59) MEN1KMT2ALMNAPOLBMAPK1

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 2 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

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 2020/4885LMNA 3700/4885

“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.