SCHEMBL463120

SCHEMBL463120

C[C@H](N)CNC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.64
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
DPP4 P27487 1/20 0.44
FAP Q12884 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL4622957 1.00 MMP2 (0.64) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL4622948 1.00 MMP2 (0.64) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL6562730 0.88 MMP2 (0.60) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL6522414 0.85 MMP2 (0.61) MMP2LMNADPP4DPP7
SCHEMBL6798022 0.83 MMP2 (0.56) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL7065249 0.83 MMP2 (0.56) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL7065251 0.83 MMP2 (0.56) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL6100385 0.82 MMP2 (0.59) MMP2LMNAKMT2ADPP4DPP7
SCHEMBL5000615 0.82 MMP2 (0.59) MMP2LMNAKMT2ADPP4DPP7
Hydrochloric Acid SCHEMBL6803379 0.82 MMP2 (0.55) MMP2LMNAMEN1KMT2ANPC1

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 3 patents. 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
EP-1590005-B1 CONJUGATES OF ENANTIOMER-PURE (4S,8S)- AND (4R,8R)-4-P-BENZYL-8-METHYL-3,6,9-TRIAZA- SP 3 /SP N, SP 6 /SP N, SP 9 /SP N-TRICARBOXYMETHYL-1,11-UNDECANOIC ACID WITH BIOMOLECULES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
EP-1590317-B1 ENANTIOMER-PURE (4S,8S)- AND (4R, 8R)-4-P-NITROBENZYL-8-METHYL-3, 6, 9-TRIAZA- SP 3 /sp N, SP 6 /SP N, SP 9 /SP N-TRICARBOXYMETHYL-1, 11-UNDECANOIC ACID AND DERIVATIVES THEREOF, METHOD FOR PRODUCING THEM, AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS SCHERING AG (DE) 2007-01-24 EP 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 MMP2 1556/4885LMNA 1212/4885MEN1 3449/4885

“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.