SCHEMBL1734014

SCHEMBL1734014

COc1ccc(C(OCOCOC(c2ccc(OC)c(OC)c2)[N+](=O)[O-])[N+](=O)[O-])cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 3/20 0.40
VCP P55072 1/20 0.40
ACHE P22303 2/20 0.38
HTT P42858 2/20 0.38
CYP19A1 P11511 1/20 0.38
PTGS2 P35354 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TNF P01375 1/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 3/20 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
SCHEMBL9227461 0.78 ALDH1A1 (0.45) CYP2C19ALDH1A1PPARGPPARDPPARA
SCHEMBL25771 0.78 ALDH1A1 (0.45) CYP2C19ALDH1A1PPARGPPARDPPARA
SCHEMBL8505313 0.77 CYP2C19 (0.50) CYP2C19ALDH1A1PPARGPPARDPPARA
SCHEMBL7263434 0.75 CYP2C19 (0.49) CYP2C19ALDH1A1PPARGPPARDPPARA
SCHEMBL10759367 0.74 CYP2C19 (0.50) CYP2C19ALDH1A1PPARGPPARDPPARA
SCHEMBL8167083 0.74 ALDH1A1 (0.38) CYP2C19ALDH1A1MAPTHTTTNF
Bromide SCHEMBL7268772 0.73 CYP2C19 (0.49) CYP2C19ALDH1A1PPARGPPARDPPARA
Water SCHEMBL7268737 0.73 ALDH1A1 (0.49) CYP2C19ALDH1A1PPARGPPARDPPARA
SCHEMBL3042994 0.73 CYP2C19 (0.52) CYP2C19ALDH1A1PPARGPPARDPPARA
SCHEMBL20592075 0.73 ALDH1A1 (0.49) CYP2C19ALDH1A1PPARGPPARDPPARA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816962-A Synthesis of Bruton's tyrosine kinase inhibitors 药品循环有限责任公司 2021-12-21 CN disclosed
EP-1896452-B1 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-11-16 EP disclosed
US-8044199-B2 N-formyl hydroxylamines compounds VICURON HOLDINGS LLC (US) 2011-10-25 US disclosed
US-20100063278-A1 N-Formyl Hydroxylamines compounds NOVARTIS AG (CH) 2010-03-11 US disclosed
US-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 US disclosed
US-7615635-B2 N-formyl hydroxylamines NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20090062537-A1 N-Formyl Hydrozyamine Compounds LEE KWANGHO 2009-03-05 US disclosed
EP-1973898-A1 PDF INHIBITORS Novartis AG (CH) 2008-10-01 EP disclosed
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics VICURON HOLDINGS LLC 2008-07-03 US disclosed
EP-1896452-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis Pharma AG. (CH) 2008-03-12 EP disclosed
US-5917016-A USEFUL AS PHOTOCLEAVABLE LINKING GROUPS IN SOLID PHASE SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (GB) 1999-06-29 US disclosed
US-5874589-A Methods for synthesizing diverse collections of tetramic acids and derivatives thereof GLAXO WELLCOME, INC. (US) 1999-02-23 US disclosed
US-5846839-A Methods for hard-tagging an encoded synthetic library GLAXO GROUP LIMITED (GB) 1998-12-08 US disclosed
WO-1998018754-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1998-05-07 WO disclosed
US-5739386-A PHOTOCLEAVABLE LINKING GROUPS IN SOLID PHASE SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (GB) 1998-04-14 US disclosed
WO-1997041093-A1 METHODS FOR THE SYNTHESIS OF FMOC PROTECTED AMINES AFFYMAX TECHNOLOGIES N.V. (GB) 1997-11-06 WO disclosed
EP-0776330-A2 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1997-06-04 EP disclosed
US-5549974-A IMMOBILIZATION AFFYMAX TECHNOLOGIES NV (AN) 1996-08-27 US disclosed
WO-1996000378-A1 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 WO disclosed
WO-1995018971-A1 METHODS FOR THE SOLID PHASE SYNTHESIS OF GLYCOCONJUGATES AFFYMAX TECHNOLOGIES N.V. (NL) 1995-07-13 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 (4 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-20100063278-A1 N-Formyl Hydroxylamines compounds PDF, MMP2, HNMT CYP2C19 1053/4885ALDH1A1 1461/4885PPARG 4095/4885
US-20090062537-A1 N-Formyl Hydrozyamine Compounds PDF, HNMT, MMP2 CYP2C19 936/4885ALDH1A1 1755/4885PPARG 4352/4885
US-20090318445-A1 PDF INHIBITORS PDF, TIMP3, MMP2 CYP2C19 1977/4885ALDH1A1 2901/4885PPARG 4478/4885
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics PDF, MMP2, PEPD CYP2C19 1509/4885ALDH1A1 1080/4885PPARG 3725/4885

“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.