SCHEMBL6719801

SCHEMBL6719801

COc1ccc([N+](=O)[O-])cc1NC(=S)NC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 5/20 0.59
LMNA P02545 5/20 0.59
HTT P42858 3/20 0.59
POLB P06746 2/20 0.54
MAPK1 P28482 2/20 0.54
GRIK1 P39086 1/20 0.51
HPGD P15428 2/20 0.51
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
TP53 P04637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 2/20 0.48
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL6719859 0.93 MEN1 (0.59) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6718706 0.92 MEN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8327529 0.90 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8334611 0.88 ALDH1A1 (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6719357 0.87 TRPV1 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6719096 0.87 MEN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6719358 0.87 MEN1 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6726499 0.87 ALDH1A1 (0.67) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6726353 0.86 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8337724 0.86 ALDH1A1 (0.59) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 MEN1 2822/4885KMT2A 1656/4885MAPT 694/4885

“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.