Nbqx

Nbqx

SCHEMBL20501770

NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc([O-])c([O-])nc12.[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Nbqx. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.50
CA2 known ✓ P00918 6/20 0.37
CA1 known ✓ P00915 4/20 0.37
CA12 known ✓ O43570 2/20 0.37
MAPT P10636 5/20 1.00
KMT2A Q03164 4/20 1.00
HPGD P15428 3/20 1.00
KDM4E B2RXH2 2/20 1.00
HSD17B10 Q99714 2/20 1.00
BLM P54132 2/20 1.00
PKM P14618 2/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
GRM6 O15303 1/20 0.50
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 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
Nbqx SCHEMBL29985796 0.99 MAPT (0.98) MAPTKMT2AHPGDKDM4EHSD17B10
Nbqx SCHEMBL29412437 0.85 MAPT (0.74) MAPTKMT2AHPGDKDM4EHSD17B10
Nbqx SCHEMBL220464 0.85 MAPT (0.74) MAPTKMT2AHPGDKDM4EHSD17B10
Nbqx SCHEMBL26985644 0.84 MAPT (0.73) MAPTKMT2AHPGDKDM4EHSD17B10
Nbqx SCHEMBL30728067 0.84 MAPT (0.73) MAPTKMT2AHPGDKDM4EHSD17B10
SCHEMBL7100168 0.80 MAPT (0.67) MAPTKMT2AHPGDKDM4EHSD17B10
Nbqx SCHEMBL2230845 0.79 MAPT (0.65) MAPTKMT2AHPGDKDM4EHSD17B10
SCHEMBL9341166 0.76 KMT2A (0.61) MAPTKMT2AHPGDKDM4EHSD17B10
SCHEMBL28120662 0.76 KMT2A (0.61) MAPTKMT2AHPGDKDM4EHSD17B10
SCHEMBL12648303 0.71 KDM4E (0.55) MAPTKMT2AHPGDKDM4EHSD17B10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616807-B2 Medical counter measures including dry powder formulations and associated methods Belhaven BioPharma Inc. (US) 2026-05-05 US disclosed
US-20240299680-A1 MEDICAL COUNTER MEASURES INCLUDING DRY POWDER FORMULATIONS AND ASSOCIATED METHODS Belhaven BioPharma Inc. (US) 2024-09-12 US disclosed
US-12005185-B2 Medical counter measures including dry powder formulations and associated methods Belhaven BioPharma Inc. (US) 2024-06-11 US disclosed
EP-2776131-B1 COMPOSITION FOR TREATING OR PREVENTING NEURODEGENERATIVE DISORDERS BIOLOGISCHE HEILMITTEL HEEL GMBH (DE) 2024-05-15 EP disclosed
US-20240076630-A1 METHODS FOR GENERATING NEURAL TISSUE AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2024-03-07 US disclosed
US-20240002936-A1 USE OF BRAIN ORGANOIDS AND SINGLE CELL GENOMICS TO UNDERSTAND AND TREAT NEURODEVELOPMENTAL AND NEUROPSYCHIATRIC DISORDERS THE BROAD INSTITUTE, INC. 2024-01-04 US disclosed
US-20230191047-A1 MEDICAL COUNTER MEASURES INCLUDING DRY POWDER FORMULATIONS AND ASSOCIATED METHODS Belhaven BioPharma Inc. (US) 2023-06-22 US disclosed
WO-2023114462-A1 MEDICAL COUNTER MEASURES INCLUDING DRY POWDER FORMULATIONS AND ASSOCIATED METHODS Belhaven BioPharma Inc. (US) 2023-06-22 WO disclosed
US-20230064864-A1 Neuromodulation Using Electrical Stimulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-02 US disclosed
WO-2022094438-A1 USE OF BRAIN ORGANOIDS AND SINGLE CELL GENOMICS TO UNDERSTAND AND TREAT NEURODEVELOPMENTAL AND NEUROPSYCHIATRIC DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-05-05 WO disclosed
US-20200030304-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-01-30 US disclosed
WO-2018169798-A9 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-18 WO disclosed
WO-2018169798-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-20 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 (2 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-20200030304-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS GABRA4, GABRG1, GABRB2 THRB 198/4885CA2 1553/4885CA1 876/4885
US-12616807-B2 Medical counter measures including dry powder formulations and associated methods ADRB2, ADRB3, MC5R THRB 1201/4885CA2 289/4885CA1 2168/4885

“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.