SCHEMBL463663

SCHEMBL463663

CC(=O)Oc1ccc(N(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
ELANE P08246 2/20 0.52
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HSP90AA1 P07900 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 2/20 0.47
TTR P02766 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.45
ESR1 P03372 1/20 0.44
PGR P06401 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
SCHEMBL13969403 0.84 RAB9A (0.41) LMNAMAPTPOLBPKMELANE
SCHEMBL269329 0.83 LMNA (0.80) LMNAMAPTPOLBPKMELANE
SCHEMBL2170993 0.83 LMNA (0.59) LMNAMAPTPOLBPKMELANE
Lithium SCHEMBL30522746 0.81 LMNA (0.76) LMNAMAPTPOLBPKMELANE
SCHEMBL14760365 0.81 LMNA (0.76) LMNAMAPTPOLBPKMELANE
SCHEMBL9481531 0.80 ELANE (0.59) LMNAMAPTPOLBPKMELANE
SCHEMBL8970607 0.79 SMN1; SMN2 (0.57) LMNAMAPTPOLBPKMELANE
SCHEMBL9915237 0.79 KMT2A (0.46) LMNAMAPTELANEHSD17B10ALDH1A1
SCHEMBL12064920 0.78 RAB9A (0.40) LMNAMAPTPOLBPKMELANE
SCHEMBL4572317 0.78 KMT2A (0.59) LMNAMAPTELANEHSD17B10ALDH1A1

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 LMNA 1212/4885MAPT 2099/4885POLB 285/4885

“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.