SCHEMBL2089396

SCHEMBL2089396

O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.67
ALDH1A1 P00352 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
MAPT P10636 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPK1 P28482 3/20 0.63
KDM4E B2RXH2 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
GAA P10253 2/20 0.63
APAF1 O14727 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PKM P14618 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PDE4B Q07343 4/20 0.61
NPSR1 Q6W5P4 1/20 0.58
MGAM O43451 1/20 0.57
SI P14410 1/20 0.57
MGAM2 Q2M2H8 1/20 0.57

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
SCHEMBL29354358 0.86 SLC9A1 (0.65) SLC9A1ALDH1A1NPC1RAB9AMAPT
SCHEMBL3327335 0.86 SLC9A1 (0.65) SLC9A1ALDH1A1NPC1RAB9AMAPT
SCHEMBL9476229 0.86 SLC9A1 (0.65) SLC9A1ALDH1A1NPC1RAB9AMAPT
SCHEMBL1705814 0.83 ALDH1A1 (0.62) SLC9A1ALDH1A1NPC1RAB9AMAPT
SCHEMBL3400235 0.83 ALDH1A1 (0.59) SLC9A1ALDH1A1NPC1RAB9AMAPT
SCHEMBL19929559 0.82 SLC9A1 (0.61) SLC9A1ALDH1A1NPC1RAB9AMAPT
Nitrafudam SCHEMBL29385280 0.82 SLC9A1 (0.67) SLC9A1ALDH1A1NPC1RAB9AMAPT
Nitrafudam SCHEMBL121333 0.81 SLC9A1 (0.66) SLC9A1ALDH1A1NPC1RAB9AMAPT
SCHEMBL11487837 0.80 NPC1 (0.60) SLC9A1ALDH1A1NPC1RAB9AMAPT
SCHEMBL19929557 0.80 MAPT (0.64) SLC9A1ALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103768044-A Application of active compounds for inhibiting dimerization of DJ-1 UNIV ZHEJIANG 2014-05-07 CN claimed
US-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US claimed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP claimed
CN-101309922-A Amino-aza-adamantane derivatives and methods of use ABBOTT LAB (US) 2008-11-19 CN claimed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
US-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets FERNANDEZ-POL JOSE A (US) 2004-08-26 US claimed
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2003-12-04 US claimed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 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 (6 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-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets ZFX, ZFR, SLC30A6 SLC9A1 3105/4885ALDH1A1 1453/4885NPC1 2838/4885
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 SLC9A1 1073/4885ALDH1A1 1034/4885NPC1 1243/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 SLC9A1 919/4885ALDH1A1 130/4885NPC1 33/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 SLC9A1 1115/4885ALDH1A1 267/4885NPC1 51/4885
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets ZFX, ZFR, SLC30A6 SLC9A1 2565/4885ALDH1A1 1314/4885NPC1 3159/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 SLC9A1 919/4885ALDH1A1 130/4885NPC1 33/4885

“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.