SCHEMBL6715488

SCHEMBL6715488

COC(=O)c1ccccc1NC(=O)C(c1ccccc1)N(S)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
MAPT P10636 9/20 0.52
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6715737 0.90 ALDH1A1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6715745 0.89 MAPT (0.53) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6715668 0.89 RAB9A (0.53) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6714420 0.88 RAB9A (0.53) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6723444 0.88 RAB9A (0.52) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6716932 0.88 RAB9A (0.52) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6715694 0.86 RAB9A (0.52) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6723841 0.86 MAPT (0.52) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6723624 0.85 LMNA (0.52) AKR1C3AKR1C2MAPTRAB9ANPC1
SCHEMBL6719452 0.85 MAPT (0.51) AKR1C3AKR1C2MAPTRAB9ANPC1

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 1 patent. 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

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 AKR1C3 1168/4885AKR1C2 666/4885MAPT 427/4885

“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.