SCHEMBL4029398

SCHEMBL4029398

CCOC(=O)Cc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
YWHAG P61981 1/20 0.46
GPR35 Q9HC97 1/20 0.45
MAPT P10636 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
SNCA P37840 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL1694828 0.89 MAPT (0.49) LMNAMEN1KMT2AHTTYWHAG
SCHEMBL26264596 0.87 LMNA (0.50) LMNAMEN1KMT2AHTTMAPT
SCHEMBL3723783 0.86 LMNA (0.49) LMNAMEN1KMT2AHTTMAPT
SCHEMBL2435686 0.85 ALDH1A1 (0.55) YWHAGGPR35MAPTALDH1A1GAA
SCHEMBL2436323 0.84 LMNA (0.48) LMNAMEN1KMT2AHTTMAPT
SCHEMBL3729197 0.83 MAPT (0.49) LMNAMEN1KMT2AHTTMAPT
SCHEMBL5201986 0.83 LMNA (0.49) LMNAMEN1KMT2AHTTMAPT
SCHEMBL5092015 0.83 LMNA (0.49) LMNAMEN1KMT2AHTTMAPT
SCHEMBL15270721 0.82 LMNA (0.53) LMNAMEN1KMT2AHTTMAPT
SCHEMBL31085600 0.82 LMNA (0.53) LMNAMEN1KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
US-20020137782-A1 Substituted bicyclic compounds AVENTIS PHARMA LIMITED (GB) 2002-09-26 US disclosed
CN-1350534-A Substituted bicyclic heteroaryl compounds as integrin antagonists AVENTIS PHARMA LTD (GB) 2002-05-22 CN disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 WO disclosed
EP-1183254-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS Aventis Pharma Limited (GB) 2002-03-06 EP disclosed
EP-1177181-A1 SUBSTITUTED BICYCLIC COMPOUNDS Aventis Pharma Limited (GB) 2002-02-06 EP disclosed
EP-1153017-A1 BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS Aventis Pharma Limited (GB) 2001-11-14 EP disclosed
WO-2001064659-A2 INDANE DERIVATIVES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 2001-09-07 WO disclosed
WO-2000068213-A1 SUBSTITUTED BICYCLIC COMPOUNDS AVENTIS PHARMA LIMITED (GB) 2000-11-16 WO disclosed
WO-2000061580-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LIMITED (GB) 2000-10-19 WO disclosed
WO-2000049005-A1 BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS AVENTIS PHARMA LIMITED (GB) 2000-08-24 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 (3 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 LMNA 3573/4885MEN1 4682/4885KMT2A 3101/4885
US-20020137782-A1 Substituted bicyclic compounds ITGA1, VCAM1, ITGB1 LMNA 898/4885MEN1 3657/4885KMT2A 1572/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 LMNA 2911/4885MEN1 4470/4885KMT2A 4529/4885

“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.