SCHEMBL6718752

SCHEMBL6718752

COc1ccc(NC(=O)N(S)C(C(=O)Nc2c(C)cccc2C)C2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 3/20 0.44
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL6716824 1.00 MAPT (0.49) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL6715694 0.81 RAB9A (0.52) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL6718749 0.81 MEN1 (0.51) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL6716820 0.81 MEN1 (0.51) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL6714246 0.80 MAPT (0.48) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL6714166 0.80 MAPT (0.48) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL6723190 0.80 KMT2A (0.51) ALDH1A1MEN1KMT2ALMNA
SCHEMBL6723576 0.80 KMT2A (0.51) ALDH1A1MEN1KMT2ALMNA
SCHEMBL6723757 0.76 MAPT (0.48) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL6715861 0.76 RAB9A (0.48) MAPTALDH1A1HPGDRAB9ANPC1

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 MAPT 427/4885ALDH1A1 572/4885HPGD 619/4885

“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.