SCHEMBL439935

SCHEMBL439935

O=[N+]([O-])c1ccc([CH]c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.64
FBP1 P09467 2/20 0.61
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 2/20 0.54
ACHE P22303 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGS2 P35354 3/20 0.53
PTGS1 P23219 1/20 0.53
CYP19A1 P11511 1/20 0.53
LMNA P02545 1/20 0.52
CES1 P23141 1/20 0.50
METAP1 P53582 1/20 0.50
TSHR P16473 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL5248686 0.91 ALDH1A1 (0.62) APPFBP1NPC1MAPTRAB9A
SCHEMBL7525934 0.89 ACHE (0.75) APPFBP1NPC1MAPTRAB9A
SCHEMBL14880514 0.89 MAOB (0.58) APPFBP1NPC1MAPTRAB9A
SCHEMBL14880657 0.89 HSPB1 (0.60) APPFBP1NPC1MAPTRAB9A
SCHEMBL28018804 0.87 MAPT (0.79) APPFBP1NPC1MAPTRAB9A
SCHEMBL458178 0.84 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL14947048 0.84 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL458177 0.84 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL9170800 0.84 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL9170804 0.84 APP (0.78) APPFBP1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-2343306-B1 Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates JAPAN PRESIDENT NAT CT NEUROLOGY & PSYCHIATRY (JP) 2018-04-04 EP claimed
EP-2343306-A1 Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates Japan as represented by President of National Center of Neurology and Psychiatry Ministry of Health (JP) 2011-07-13 EP claimed
US-7732583-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-06-08 US claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
US-20060074235-A1 Glycolipids derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2006-04-06 US claimed
EP-1619199-A1 GLYCOLIPID DERIVATIVES, PROCESS FOR PRODUCTION OF THE SAME, INTERMEDIATES FOR SYNTHESIS THEREOF, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Daiichi Asubio Pharma Co., Ltd. (JP) 2006-01-25 EP claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
US-6057419-A DRUGS AND IMAGES SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US claimed
US-5386028-A Process for the production of N-β-hydroxyalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and N-β-hydroxyalkyl-tri-N-carboxyalkyl-1,4,8,11-tetraazacyclotetradecane derivatives and their metal complexes SCHERING AKTIENGESELLSCHAFT (DE) 1995-01-31 US claimed
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2020-02-27 US disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-10087205-B2 Metal organic frameworks comprising a plurality of SBUS with different metal ions and/or a plurality of organic linking ligands with different functional groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-02 US disclosed
US-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0320942-A2 Novel polysaccharides novel macromolecular conjugates of the polysaccharides AMERICAN CYANAMID COMPANY (US) 1989-06-21 EP disclosed
EP-0271586-A1 $g(b)-LACTAM COMPOUNDS AND PROCESS FOR THEIR PREPARATION SAGAMI CHEMICAL RESEARCH CENTER (JP) 1988-06-22 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 (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-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 APP 72/4885FBP1 1772/4885NPC1 962/4885
US-10087205-B2 Metal organic frameworks comprising a plurality of SBUS with different metal ions and/or a plurality of organic linking ligands with different functional groups EPCAM, SOD1, SBDS APP 3953/4885FBP1 3518/4885NPC1 4119/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 APP 649/4885FBP1 2768/4885NPC1 2068/4885

“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.