SCHEMBL1052865

SCHEMBL1052865

Cc1nn(-c2ccccc2)c2nccc(NN=C(C3=COCO3)c3ccccc3[N+](=O)[O-])c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 2/20 0.35
RECQL P46063 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
DNMT1 P26358 1/20 0.35
BLM P54132 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1054710 0.76 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1054711 0.76 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1052867 0.73 GAA (0.51) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1052859 0.73 GAA (0.51) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1056357 0.69 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1056358 0.69 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1057904 0.69 POLB (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6647178 0.65 KDM4E (0.48) L3MBTL1ALDH1A1HPGDSMN1; SMN2NR3C1
SCHEMBL1059298 0.65 GSK3B (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1059295 0.65 GSK3B (0.49) MAPTMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US claimed
EP-1982704-B1 New molecular target of neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2010-08-04 EP claimed
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2006-10-26 US claimed
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits DIAXONHIT (FR) 2006-06-29 US claimed
US-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening EXONHIT THERAPEUTICS SA (FR) 2005-02-24 US claimed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US claimed
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2012-08-09 US disclosed
US-7872015-B2 Methods involving PDE4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2011-01-18 US disclosed
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US disclosed
EP-1982704-B1 New molecular target of neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2010-08-04 EP disclosed
US-20090317842-A1 Methods and Tools for The Therapy of Neurodegenerative Pathologies EXONHIT THERAPEUTICS SA (FR) 2009-12-24 US disclosed
EP-1417349-B1 NOVEL MOLECULAR TARGET FOR NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2008-11-19 EP disclosed
EP-1982704-A2 New molecular target of neurotoxicity Exonhit Therapeutics SA (FR) 2008-10-22 EP disclosed
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2006-10-26 US disclosed
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits DIAXONHIT (FR) 2006-06-29 US disclosed
US-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening EXONHIT THERAPEUTICS SA (FR) 2005-02-24 US disclosed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US 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-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening PDE4B, PDE4A, PDE4D MAPT 457/4885MEN1 4425/4885KMT2A 2147/4885
US-20090317842-A1 Methods and Tools for The Therapy of Neurodegenerative Pathologies SNCA, BACE1, BDNF MAPT 20/4885MEN1 3544/4885KMT2A 3350/4885
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A MAPT 499/4885MEN1 4671/4885KMT2A 1469/4885
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies PDE4B, PDE4A, GABRA4 MAPT 1974/4885MEN1 4415/4885KMT2A 2024/4885
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits QDPR, ACHE, GRN MAPT 11/4885MEN1 3709/4885KMT2A 1737/4885
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A MAPT 499/4885MEN1 4671/4885KMT2A 1469/4885

“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.