SCHEMBL192974

SCHEMBL192974

COc1[c]cc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
HSD17B10 Q99714 3/20 0.42
ACHE P22303 2/20 0.42
PTGS2 P35354 3/20 0.41
APP P05067 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL4831497 0.86 APP (0.46) HTTTDP1HSD17B10ACHEPTGS2
SCHEMBL8715421 0.84 ALDH1A1 (0.40) TDP1HSD17B10ACHEALDH1A1LMNA
SCHEMBL1030905 0.83 APP (0.48) HTTTDP1PTGS2APPPTGS1
SCHEMBL3462831 0.81 HTT (0.33) HTTTDP1
SCHEMBL4135373 0.80 PTGS2 (0.47) TDP1HSD17B10ACHEPTGS2ALDH1A1
SCHEMBL16950956 0.80 MAPT (0.41) HTTTDP1HSD17B10ACHECYP19A1
SCHEMBL21268146 0.80 MAPT (0.38) HTTHSD17B10ACHEPTGS2ALDH1A1
SCHEMBL17046262 0.78 CYP19A1 (0.44) HSD17B10ACHEPTGS2CYP19A1ALDH1A1
SCHEMBL16951106 0.77 MAPT (0.38) HTTHSD17B10ACHEALDH1A1LMNA
SCHEMBL4918677 0.77 MEN1 (0.37) HTTHSD17B10ACHEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206683-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA The Board of Trustees of the Leland Stanford Junior University (US) 2017-08-23 EP claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
WO-2016061538-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-04-21 WO claimed
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP claimed
EP-0853647-B2 FLUORINATED XANTHENE DERIVATIVES MOLECULAR PROBES INC (US) 2011-06-15 EP claimed
US-7855289-B2 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2010-12-21 US claimed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP claimed
EP-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US claimed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-0853647-A1 FLUORINATED XANTHENE DERIVATIVES Molecular Probes Inc. (US) 1998-07-22 EP claimed
EP-0805795-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1997-11-12 EP claimed
WO-1997039064-A1 FLUORINATED XANTHENE DERIVATIVES MOLECULAR PROBES, INC. (US) 1997-10-23 WO claimed
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US claimed
WO-1996022965-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-08-01 WO claimed
US-5430175-A Caged carboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1995-07-04 US claimed
EP-0300865-B1 DERIVATIVES OF N-AMINOBUTYL-N-PHENYL ARYL AMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SYNTHELABO (FR) 1992-03-18 EP claimed
US-5001159-A Hypotensive, antiulcer, antiischemic agents; migraines, asthma epilepsy, anticoagulants; cardiovasculat disorders SYNTHELABO (FR) 1991-03-19 US claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 HTT 2822/4885TDP1 4141/4885HSD17B10 2925/4885

“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.