SCHEMBL4370622

SCHEMBL4370622

O=[N+]([O-])Oc1ccccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALPG P10696 1/20 0.47
PTK2B Q14289 1/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
LIPE Q05469 1/20 0.46

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
SCHEMBL339812 0.80 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1ALPG
SCHEMBL15013285 0.79 MAPT (0.55) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL2305236 0.79 NPC1 (0.68) TDP1L3MBTL1MEN1KMT2AHTR1A
SCHEMBL30015078 0.79 NPC1 (0.68) TDP1L3MBTL1MEN1KMT2AHTR1A
Formaldehyde SCHEMBL27831678 0.78 MAPT (0.63) MAPTMAPK1TDP1L3MBTL1ALPG
SCHEMBL13230076 0.77 NPC1 (0.75) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL9687632 0.76 MAPT (0.67) MAPTMEN1KMT2AHTR1AADRA1D
SCHEMBL30318898 0.76 HPD (0.49) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL1121791 0.76 HPD (0.49) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL30823663 0.75 ALDH1A1 (0.49) MAPTMAPK1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670485-A4 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP (CA) 2009-03-11 EP disclosed
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element RESVERLOGIX CORP. (CA) 2007-05-03 US disclosed
CN-1893957-A Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP (CA) 2007-01-10 CN disclosed
EP-1670484-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
EP-1670485-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
WO-2005034960-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2005-04-21 WO disclosed
US-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
WO-2005032559-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2005-04-14 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 (3 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-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders NOS2, NOS3, NOS1 MAPT 3600/4885MAPK1 1605/4885TDP1 718/4885
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element TOE1, ATF1, ELF3 MAPT 4779/4885MAPK1 272/4885TDP1 314/4885
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders NOS2, NOS1, NOS3 MAPT 2805/4885MAPK1 1296/4885TDP1 788/4885

“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.