SCHEMBL5044934

SCHEMBL5044934

NS(=O)(=O)c1cccc2c1cc([N+](=O)[O-])c1nc(O)c(O)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
PKM P14618 1/20 0.52
BLM P54132 1/20 0.52
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
CA1 P00915 5/20 0.46
CA12 O43570 4/20 0.46
CDK2 P24941 1/20 0.45
MEN1 O00255 3/20 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

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 0.81 MAPT (0.74) MAPTKDM4EKMT2AHPGDHSD17B10
Nbqx SCHEMBL29412437 0.81 MAPT (0.74) MAPTKDM4EKMT2AHPGDHSD17B10
Nbqx SCHEMBL30728067 0.80 MAPT (0.73) MAPTKDM4EKMT2AHPGDHSD17B10
Nbqx SCHEMBL26985644 0.80 MAPT (0.73) MAPTKDM4EKMT2AHPGDHSD17B10
Nbqx SCHEMBL2230845 0.75 MAPT (0.65) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL14149481 0.74 TDP1 (0.64) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL28120662 0.73 KMT2A (0.61) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL5142239 0.73 CDK2 (0.56) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL9341166 0.71 KMT2A (0.61) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL7534908 0.70 GPR35 (0.62) MAPTKDM4EKMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586321-B1 New use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2008-12-10 EP claimed
US-7101879-B2 Treatments for neurotoxicity in Alzheimer's Disease MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-09-05 US claimed
EP-1015013-A4 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE BY beta-AMYLOID PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2002-07-24 EP claimed
US-6172043-B1 GENETIC ENGINEERED POLYPEPTIDE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-01-09 US claimed
EP-1015013-A1 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE BY beta-AMYLOID PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-07-05 EP claimed
WO-1998030229-A1 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE BY β-AMYLOID PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-07-16 WO claimed
EP-1474126-A4 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE MASSACHUSETTS INST TECHNOLOGY (US) 2007-08-08 EP disclosed
US-7101879-B2 Treatments for neurotoxicity in Alzheimer's Disease MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-09-05 US disclosed
US-7067550-B2 Treatments for neurotoxicity in Alzheimer's Disease MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-06-27 US disclosed
EP-1341548-A4 METHODS FOR IDENTIFYING TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE CAUSED BY $g(b)-AMYLOID PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2006-06-14 EP disclosed
US-6942963-B1 Methods for identifying treatments for neurotoxicity in Alzheimer's disease caused by β-amyloid peptides MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-13 US disclosed
EP-1474126-A2 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-11-10 EP disclosed
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US disclosed
US-20030114510-A1 Treatments for neurotoxicity in alzheimer's disease MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-06-19 US disclosed
US-20030105152-A1 Treatments for neurotoxicity in Alzheimer's disease INSTITUTE OF TECHNOLOGY, MASSACHUSETTS 2003-06-05 US disclosed
EP-1015013-A4 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE BY beta-AMYLOID PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2002-07-24 EP disclosed
WO-2002035987-A2 METHODS FOR IDENTIFYING TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE CAUSED BY β-AMYLOID PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-10 WO disclosed
US-6172043-B1 GENETIC ENGINEERED POLYPEPTIDE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-01-09 US disclosed
EP-1015013-A1 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE BY beta-AMYLOID PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-07-05 EP disclosed
WO-1998030229-A1 TREATMENTS FOR NEUROTOXICITY IN ALZHEIMER'S DISEASE BY β-AMYLOID PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-07-16 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 (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-20040204347-A1 Treatment of demyelinating disorders GRIK4, GRIK5, PMP22 MAPT 619/4885KDM4E 1872/4885KMT2A 1383/4885

“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.