SCHEMBL6715985

SCHEMBL6715985

COc1ccc([N+](=O)[O-])cc1NC(=S)NC(C(=O)NC1Cc2ccccc2C1)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
EPHX1 P07099 2/20 0.43
KCNMA1 Q12791 1/20 0.42
BLM P54132 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
SCHEMBL6718015 0.93 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6723227 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6715991 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6726583 0.82 HTT (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8336995 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8334628 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6726499 0.75 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6718768 0.74 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6720018 0.74 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6726682 0.74 ALDH1A1 (0.65) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 claimed
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 MEN1 2822/4885KMT2A 1656/4885ALDH1A1 575/4885

“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.