SCHEMBL823689

SCHEMBL823689

CC(=O)Oc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MMP14 P50281 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
TLR9 Q9NR96 2/20 0.40
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 4/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL19071929 0.84 CYP4F2 (0.44) MAPTKMT2AMEN1NPC1TLR9
SCHEMBL11309191 0.84 GPR35 (0.46) MAPTKMT2AMEN1NPC1TLR9
SCHEMBL5063642 0.82 MEN1 (0.47) MAPTKMT2AMEN1NPC1TLR9
SCHEMBL28418706 0.80 CYP4F2 (0.44) MAPTKMT2AMMP14NPSR1MEN1
SCHEMBL823830 0.80 ALDH1A1 (0.50) MAPTKMT2AMMP14NPSR1MEN1
SCHEMBL19425974 0.80 MAPT (0.42) MAPTKMT2ANPSR1MEN1NPC1
SCHEMBL823703 0.79 SMN1; SMN2 (0.40) MAPTPKMCYP3A4SMN1; SMN2KDM4E
SCHEMBL377595 0.77 MAPK1 (0.51) MAPTKMT2AMMP14NPSR1MEN1
SCHEMBL7421553 0.77 TSHR (0.54) MAPTKMT2ANPSR1MEN1NPC1
SCHEMBL462857 0.77 ALOX5 (0.49) MAPTKMT2AMEN1POLBPKM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142720-B2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC (BE) 2012-03-27 US disclosed
US-8142720-B2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC (BE) 2012-03-27 US disclosed
US-20100284860-A1 MOLECULES SUITABLE FOR BINDING TO A METAL LAYER FOR COVALENTLY IMMOBILIZING BIOMOLECULES IMEC (BE) 2010-11-11 US disclosed
US-20100284860-A1 MOLECULES SUITABLE FOR BINDING TO A METAL LAYER FOR COVALENTLY IMMOBILIZING BIOMOLECULES IMEC (BE) 2010-11-11 US disclosed
US-7770437-B2 Thiol or disulfide molecules having poly(ethylene oxide) groups for use in a self assembled monolayer bound to a metal layer for covalently immobilizing biomolecules in a biosensor IMEC (BE) 2010-08-10 US disclosed
US-7770437-B2 Thiol or disulfide molecules having poly(ethylene oxide) groups for use in a self assembled monolayer bound to a metal layer for covalently immobilizing biomolecules in a biosensor IMEC (BE) 2010-08-10 US disclosed
EP-1798250-B1 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC INTER UNI MICRO ELECTR (BE) 2008-09-03 EP disclosed
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions IMEC (BE) 2007-11-29 US disclosed
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions IMEC (BE) 2007-11-29 US disclosed
EP-1798250-A2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) 2007-06-20 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 (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-20100284860-A1 MOLECULES SUITABLE FOR BINDING TO A METAL LAYER FOR COVALENTLY IMMOBILIZING BIOMOLECULES EBPL, SPR, MB MAPT 4448/4885KMT2A 3264/4885MMP14 1676/4885
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions EBPL, AEBP2, NAPA MAPT 4752/4885KMT2A 3326/4885MMP14 1965/4885

“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.