SCHEMBL1056358

SCHEMBL1056358

Cc1nn(-c2ccccc2)c2nccc(NN=Cc3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
LMNA P02545 4/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 3/20 0.45
SLC2A1 P11166 1/20 0.45
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
NQO2 P16083 1/20 0.44
BRAF P15056 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1056357 1.00 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL1059298 0.88 GSK3B (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1059295 0.88 GSK3B (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1058014 0.85 KDM4E (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1058015 0.85 KDM4E (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1054711 0.85 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL1054710 0.85 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL1057905 0.84 POLB (0.49) MAPTMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL1057904 0.84 POLB (0.49) MAPTMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL1058558 0.83 GSK3B (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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.