SCHEMBL406638

SCHEMBL406638

CC(OO)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
KEAP1 Q14145 1/20 0.47
APAF1 O14727 1/20 0.44
DGAT1 O75907 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
THPO P40225 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 4/20 0.41
HPGD P15428 2/20 0.41
GFER P55789 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
SCHEMBL1866263 0.80 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL1083846 0.80 ALDH1A1 (0.58) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL9220916 0.80 SLC9A1 (0.55) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL14422298 0.80 SLC9A1 (0.55) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL4221863 0.77 SLC9A1 (0.48) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL7048241 0.77 SLC9A1 (0.48) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL23791679 0.77 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL17676626 0.77 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL14149860 0.77 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL8208192 0.77 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1

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-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 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-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 SLC9A1 2801/4885POLB 285/4885MAPK1 3498/4885

“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.