SCHEMBL1052867

SCHEMBL1052867

Cc1nn(-c2ccccc2)c2nccc(NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
MAPT P10636 16/20 0.48
KDM4E B2RXH2 4/20 0.48
APOBEC3G Q9HC16 2/20 0.48
PKM P14618 1/20 0.48
APOBEC3A P31941 1/20 0.48
ALDH1A1 P00352 9/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
PABPC1 P11940 1/20 0.47
EIF4H Q15056 1/20 0.47
CYP2C9 P11712 3/20 0.46
POLB P06746 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 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
SCHEMBL1052859 1.00 GAA (0.51) GAAMAPTKDM4EAPOBEC3GPKM
SCHEMBL1054711 0.87 MAPT (0.47) GAAMAPTAPOBEC3GPKMAPOBEC3A
SCHEMBL1054710 0.87 MAPT (0.47) GAAMAPTAPOBEC3GPKMAPOBEC3A
SCHEMBL1058207 0.82 NPC1 (0.52) GAAMAPTKDM4EPKMALDH1A1
SCHEMBL1058210 0.82 NPC1 (0.52) GAAMAPTKDM4EPKMALDH1A1
SCHEMBL1056357 0.78 MAPT (0.49) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL1056358 0.78 MAPT (0.49) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL1057904 0.78 POLB (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1057905 0.78 POLB (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1059298 0.75 GSK3B (0.49) MAPTKDM4EPKMALDH1A1MEN1

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 GAA 72/4885MAPT 457/4885KDM4E 1723/4885
US-20090317842-A1 Methods and Tools for The Therapy of Neurodegenerative Pathologies SNCA, BACE1, BDNF GAA 182/4885MAPT 20/4885KDM4E 4634/4885
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A GAA 90/4885MAPT 499/4885KDM4E 2093/4885
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies PDE4B, PDE4A, GABRA4 GAA 649/4885MAPT 1974/4885KDM4E 1353/4885
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits QDPR, ACHE, GRN GAA 1455/4885MAPT 11/4885KDM4E 1945/4885
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A GAA 90/4885MAPT 499/4885KDM4E 2093/4885

“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.