SCHEMBL437511

SCHEMBL437511

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
IDO1 P14902 2/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
MMP2 P08253 2/20 0.41
CHRM2 P08172 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 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
SCHEMBL437513 1.00 LOXL2 (0.45) LOXL2KMT2AMEN1DPP4DPP7
SCHEMBL437512 1.00 LOXL2 (0.45) LOXL2KMT2AMEN1DPP4DPP7
Hydrochloric Acid SCHEMBL4625004 0.99 LOXL2 (0.44) LOXL2KMT2AMEN1DPP4DPP7
Hydrochloric Acid SCHEMBL6562941 0.86 LOXL2 (0.44) LOXL2KMT2AMEN1DPP4DPP7
SCHEMBL4092879 0.82 LOXL2 (0.49) LOXL2KMT2AMEN1DPP4DPP7
SCHEMBL6523856 0.82 LOXL2 (0.49) LOXL2KMT2AMEN1DPP4DPP7
SCHEMBL4104161 0.82 LOXL2 (0.49) LOXL2KMT2AMEN1DPP4DPP7
SCHEMBL3779820 0.82 CHRM2 (0.44) LOXL2KMT2AMEN1DPP4DPP7
Hydrochloric Acid SCHEMBL2511528 0.81 LOXL2 (0.47) LOXL2KMT2AMEN1DPP4DPP7
Hydrochloric Acid SCHEMBL2511527 0.81 LOXL2 (0.47) LOXL2KMT2AMEN1DPP4DPP7

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 8 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
EP-1590317-A1 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 Aktiengesellschaft (DE) 2005-11-02 EP disclosed
EP-1590005-A1 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 Schering Aktiengesellschaft (DE) 2005-11-02 EP disclosed
US-20040208828-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 BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
WO-2004069787-A1 ENANTIOMER-PURE (4S,8S)- AND (4R, 8R)-4-P-NITROBENZYL-8-METHYL-3, 6, 9-TRIAZA-3N, 6N, 9N-TRICARBOXYMETHYL-1, 11-UNDECANOIC ACID AND DERIVATIVES THEREOF, METHOD FOR PRODUCING THEM, AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-19 WO disclosed
WO-2004069282-A1 CONJUGATES OF ENANTIOMER-PURE (4S,8S)- AND (4R,8R)-4-P-BENZYL-8-METHYL-3,6,9-TRIAZA-3N,6N,9N-TRICARBOXYMETHYL-1,11-UNDECANOIC ACID WITH BIOMOLECULES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-19 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 (2 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-20040208828-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 LOXL2 3644/4885KMT2A 2532/4885MEN1 3456/4885
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 LOXL2 3736/4885KMT2A 2467/4885MEN1 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.