SCHEMBL6722744

SCHEMBL6722744

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
S1PR3 Q99500 1/20 0.49
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GBA1 P04062 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
FPR2 P25090 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.92 LMNA (0.50) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL6717147 0.91 KMT2A (0.44) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL6723453 0.90 LMNA (0.48) MEN1KMT2AS1PR3MAPTLMNA
SCHEMBL6717353 0.90 PHGDH (0.50) MEN1KMT2AMAPTLMNACYP2C9
SCHEMBL6716800 0.89 LMNA (0.45) MEN1KMT2AMAPTLMNACYP2C9
SCHEMBL6717694 0.86 POLB (0.47) MEN1KMT2AS1PR3MAPTLMNA
SCHEMBL6713814 0.84 KMT2A (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL6715746 0.84 LMNA (0.53) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL6716840 0.84 KMT2A (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL6717130 0.83 MAPT (0.46) MEN1KMT2AMAPTLMNARAB9A

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-20040152741-A1 Arylglycine derivatives and their 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 MEN1 2822/4885KMT2A 1656/4885S1PR3 2451/4885

“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.