SCHEMBL823703

SCHEMBL823703

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
GPR35 Q9HC97 1/20 0.39
MAPT P10636 5/20 0.38
VCP P55072 1/20 0.38
ALDH1A1 P00352 5/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 2/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MDM2 Q00987 1/20 0.36
TNFSF11 O14788 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CCR6 P51684 1/20 0.36

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
SCHEMBL29169624 0.83 MAPT (0.35) SMN1; SMN2GPR35MAPTALDH1A1PKM
SCHEMBL823831 0.83 SMN1; SMN2 (0.43) SMN1; SMN2GPR35MAPTVCPALDH1A1
SCHEMBL823833 0.80 SMN1; SMN2 (0.46) SMN1; SMN2GPR35MAPTVCPALDH1A1
SCHEMBL823689 0.79 MAPT (0.41) SMN1; SMN2GPR35MAPTALDH1A1PKM
SCHEMBL11796623 0.78 ALDH1A1 (0.53) MAPTALDH1A1PKMHTTKDM4E
SCHEMBL7158694 0.76 TNFSF11 (0.56) SMN1; SMN2MAPTVCPALDH1A1GAA
SCHEMBL28030256 0.75 CYP4F2 (0.44) SMN1; SMN2MAPTVCPALDH1A1RECQL
SCHEMBL17005575 0.75 TSHR (0.51) SMN1; SMN2GPR35MAPTALDH1A1RECQL
SCHEMBL11624142 0.74 SMN1; SMN2 (0.44) SMN1; SMN2GPR35MAPTVCPALDH1A1
SCHEMBL25331485 0.73 TSHR (0.50) SMN1; SMN2GPR35MAPTALDH1A1RECQL

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 SMN1; SMN2 4865/4885GPR35 4437/4885MAPT 4448/4885
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 SMN1; SMN2 4665/4885GPR35 3715/4885MAPT 4752/4885

“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.