SCHEMBL1057904

SCHEMBL1057904

Cc1nn(-c2ccccc2)c2nccc(N/N=C\c3ccc([N+](=O)[O-])o3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
MITF O75030 3/20 0.49
MAPT P10636 12/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
HTT P42858 6/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
NQO2 P16083 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.44
MCL1 Q07820 2/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BCL2L1 Q07817 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
SCHEMBL1057905 1.00 POLB (0.49) POLBMITFMAPTMEN1KMT2A
SCHEMBL1056357 0.84 MAPT (0.49) POLBMAPTMEN1KMT2AHTT
SCHEMBL1056358 0.84 MAPT (0.49) POLBMAPTMEN1KMT2AHTT
SCHEMBL1054711 0.82 MAPT (0.47) POLBMAPTMEN1KMT2AHTT
SCHEMBL1054710 0.82 MAPT (0.47) POLBMAPTMEN1KMT2AHTT
SCHEMBL1059298 0.81 GSK3B (0.49) POLBMAPTMEN1KMT2AMAPK1
SCHEMBL1059295 0.81 GSK3B (0.49) POLBMAPTMEN1KMT2AMAPK1
SCHEMBL1055993 0.81 KDM4E (0.47) POLBMAPTMEN1KMT2AHTT
SCHEMBL1055994 0.81 KDM4E (0.47) POLBMAPTMEN1KMT2AHTT
SCHEMBL1052859 0.78 GAA (0.51) POLBMAPTMEN1KMT2AHTT

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 16 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-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 POLB 152/4885MITF 2876/4885MAPT 457/4885
US-20090317842-A1 Methods and Tools for The Therapy of Neurodegenerative Pathologies SNCA, BACE1, BDNF POLB 605/4885MITF 4578/4885MAPT 20/4885
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A POLB 78/4885MITF 2237/4885MAPT 499/4885
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies PDE4B, PDE4A, GABRA4 POLB 281/4885MITF 1968/4885MAPT 1974/4885
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits QDPR, ACHE, GRN POLB 3727/4885MITF 3593/4885MAPT 11/4885
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A POLB 78/4885MITF 2237/4885MAPT 499/4885

“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.