Nbqx

Nbqx

SCHEMBL2230845

NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12.c1ccc2nccnc2c1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
KMT2A Q03164 6/20 0.65
KDM4E B2RXH2 4/20 0.65
HPGD P15428 2/20 0.65
HSD17B10 Q99714 2/20 0.65
PKM P14618 2/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
BLM P54132 1/20 0.65
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
GRM6 O15303 1/20 0.44
GLA P06280 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44

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 SCHEMBL220464 0.92 MAPT (0.74) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL29412437 0.92 MAPT (0.74) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL30728067 0.91 MAPT (0.73) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL26985644 0.91 MAPT (0.73) MAPTKMT2AKDM4EHPGDHSD17B10
SCHEMBL9341166 0.83 KMT2A (0.61) MAPTKMT2AKDM4EHPGDHSD17B10
SCHEMBL7100168 0.83 MAPT (0.67) MAPTKMT2AKDM4EHPGDHSD17B10
SCHEMBL28120662 0.79 KMT2A (0.61) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL20501770 0.79 MAPT (1.00) MAPTKMT2AKDM4EHPGDHSD17B10
SCHEMBL9670143 0.78 KDM4E (0.52) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL29985796 0.78 MAPT (0.98) MAPTKMT2AKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
EP-2582374-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS Afraxis, Inc. (US) 2013-04-24 EP disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
EP-2519241-A2 METHODS FOR TREATING AUTISM Afraxis, Inc. (US) 2012-11-07 EP disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
WO-2011159945-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2011-12-22 WO disclosed
WO-2011090666-A2 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2011-07-28 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 (4 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A MAPT 679/4885KMT2A 1745/4885KDM4E 3382/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 MAPT 600/4885KMT2A 531/4885KDM4E 1647/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 MAPT 699/4885KMT2A 1385/4885KDM4E 2994/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 MAPT 18/4885KMT2A 2429/4885KDM4E 3807/4885

“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.