SCHEMBL6716840

SCHEMBL6716840

Cc1ccccc1NC(=O)[C@@H](c1ccccc1)N(S)C(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6713814 1.00 KMT2A (0.49) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6717235 0.94 MEN1 (0.53) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6713799 0.93 KMT2A (0.49) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6718667 0.89 APP (0.47) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6717476 0.89 MAPT (0.41) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6717198 0.89 LMNA (0.50) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6723453 0.88 LMNA (0.48) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6715668 0.87 RAB9A (0.53) KMT2AMEN1MAPTCYP2C9LMNA
SCHEMBL6716955 0.87 KMT2A (0.45) KMT2AMEN1MAPTCYP2D6CYP2C9
SCHEMBL6717497 0.87 KMT2A (0.49) KMT2AMEN1MAPTCYP2D6CYP2C9

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 2020/4885MEN1 2933/4885MAPT 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.