SCHEMBL462896

SCHEMBL462896

CC(C)CCCCCCNC(=O)CCCNC(=O)C(N)CCCCN1C(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
DPP7 Q9UHL4 2/20 0.41
NAMPT P43490 1/20 0.40
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
RRM1 P23921 1/20 0.39
NOD1 Q9Y239 2/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
MGLL Q99685 2/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL10071026 0.99 DPP7 (0.42) GNAI3GNAO1GNAI1DPP7NAMPT
SCHEMBL19703688 0.89 PTGS1 (0.50) NAMPTPTGS1PTGS2HPGDHTT
SCHEMBL11990337 0.86 MAPT (0.45) NAMPTPTGS1PTGS2HPGDHTT
SCHEMBL19116815 0.84 PTGS1 (0.49) NAMPTPTGS1PTGS2HPGDHTT
SCHEMBL14868081 0.84 NAMPT (0.44) NAMPTPTGS1PTGS2HPGDHTT
SCHEMBL31722070 0.83 PTGS1 (0.50) PTGS1PTGS2NOD1HPGDHTT
SCHEMBL30202393 0.83 PTGS1 (0.50) PTGS1PTGS2NOD1HPGDHTT
SCHEMBL17175252 0.82 NAMPT (0.43) NAMPTPTGS1PTGS2HPGDHTT
SCHEMBL19116760 0.81 PTGS1 (0.53) NAMPTPTGS1PTGS2HPGDHTT
SCHEMBL21648875 0.81 PTGS1 (0.45) NAMPTPTGS1PTGS2HPGDHTT

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 GNAI3 2827/4885GNAO1 204/4885GNAI1 2711/4885

“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.