SCHEMBL6713799

SCHEMBL6713799

Cc1cccc(C)c1NC(=O)C(c1ccccc1)N(S)C(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KCNMA1 Q12791 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL6717235 0.93 MEN1 (0.53) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6713814 0.93 KMT2A (0.49) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6716840 0.93 KMT2A (0.49) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6717161 0.90 ALDH1A1 (0.53) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6715694 0.87 RAB9A (0.52) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6717198 0.86 LMNA (0.50) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6723453 0.85 LMNA (0.48) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6717589 0.85 MEN1 (0.48) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6716685 0.85 MAPT (0.52) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL6717497 0.84 KMT2A (0.49) KMT2AMAPTMEN1CYP2C9CYP2C19

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 2020/4885MAPT 427/4885MEN1 2933/4885

“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.