SCHEMBL6726682

SCHEMBL6726682

COc1ccc(NC(=O)C(NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MEN1 O00255 11/20 0.63
KMT2A Q03164 11/20 0.63
MAPT P10636 6/20 0.63
LMNA P02545 5/20 0.63
HTT P42858 2/20 0.63
TP53 P04637 1/20 0.62
POLB P06746 2/20 0.60
MAPK1 P28482 2/20 0.60
HPGD P15428 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
BLM P54132 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL6726499 0.96 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8328720 0.94 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6722727 0.93 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6715791 0.93 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6718315 0.93 MEN1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6726592 0.92 MEN1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6719557 0.92 KMT2A (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6726353 0.91 MEN1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6719603 0.90 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6718706 0.90 MEN1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 ALDH1A1 575/4885SMN1; SMN2 2115/4885MEN1 2822/4885

“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.