SCHEMBL6717147

SCHEMBL6717147

O=C(Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)N(S)C(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
GAA P10253 4/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 5/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL6717198 0.93 LMNA (0.50) KMT2AGAALMNAMEN1POLB
SCHEMBL6722744 0.91 MEN1 (0.49) KMT2AGAATP53LMNAMEN1
SCHEMBL6723453 0.91 LMNA (0.48) KMT2AGAALMNAMEN1POLB
SCHEMBL6717353 0.91 PHGDH (0.50) KMT2AGAALMNAMEN1POLB
SCHEMBL6716800 0.90 LMNA (0.45) KMT2AGAATP53LMNAMEN1
SCHEMBL6717694 0.87 POLB (0.47) KMT2AGAALMNAMEN1POLB
SCHEMBL6715746 0.85 LMNA (0.53) KMT2AGAALMNAMEN1POLB
SCHEMBL6713814 0.85 KMT2A (0.49) KMT2ATP53LMNAMEN1POLB
SCHEMBL6716840 0.85 KMT2A (0.49) KMT2ATP53LMNAMEN1POLB
SCHEMBL6717130 0.84 MAPT (0.46) KMT2AGAALMNAMEN1NPC1

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 KMT2A 2020/4885GAA 136/4885TP53 4017/4885

“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.