SCHEMBL584567

SCHEMBL584567

CCCONc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
ALOX12 P18054 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 5/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
HTT P42858 2/20 0.50
DDX3X O00571 1/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
HSP90AA1 P07900 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 1/20 0.48
CCR6 P51684 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL28177397 0.88 ALDH1A1 (0.55) ALDH1A1HPGDALOX12SMN1; SMN2MAPT
SCHEMBL14155070 0.81 KMT2A (0.51) ALDH1A1HPGDALOX12SMN1; SMN2MAPT
SCHEMBL924103 0.79 SMN1; SMN2 (0.63) ALDH1A1HPGDALOX12SMN1; SMN2MAPT
Dinitrophenylene SCHEMBL27481643 0.77 TSHR (0.63) ALDH1A1HPGDALOX12MAPTKMT2A
SCHEMBL5880840 0.76 ALDH1A1 (0.56) ALDH1A1HPGDALOX12SMN1; SMN2MAPT
SCHEMBL730213 0.76 MAPT (0.62) ALDH1A1HPGDALOX12SMN1; SMN2MAPT
SCHEMBL4186398 0.75 HTT (0.62) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2010242 0.74 MAPT (0.56) ALDH1A1HPGDALOX12SMN1; SMN2MAPT
SCHEMBL28826075 0.74 ALDH1A1 (0.54) ALDH1A1HPGDALOX12SMN1; SMN2MAPT
SCHEMBL27728555 0.74 MAPT (0.50) ALDH1A1HPGDMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3248594-A1 TABLET FOR MULTIPLE ORAL APPLICATIONS ratiopharm GmbH (DE) 2017-11-29 EP disclosed
EP-2515852-B1 FUSION TABLET CONTAINING COMPACTED SILDENAFIL BASE RATIOPHARM GMBH (DE) 2016-03-02 EP disclosed
US-8933081-B2 Melting tablet containing a sildenafil salt RATIOPHARM GMBH (DE) 2015-01-13 US disclosed
EP-2416755-B1 MELTING TABLET CONTAINING A SILDENAFIL SALT RATIOPHARM GMBH (DE) 2013-03-27 EP disclosed
EP-2515852-A1 ORODISPERSIBLE TABLET CONTAINED COMPACTED SILDENAFIL BASE Ratiopharm GmbH (DE) 2012-10-31 EP disclosed
EP-2512440-A1 ORODISPERSIBLE TABLET, CONTAINING DAPOXETINE Ratiopharm GmbH (DE) 2012-10-24 EP disclosed
US-20120071488-A1 MELTING TABLET CONTAINING A SILDENAFIL SALT RATIOPHARM GMBH (DE) 2012-03-22 US disclosed
EP-2429528-A2 ORODISPERSIBLE TABLET CONTAINING A VARDENAFIL SALT Ratiopharm GmbH (DE) 2012-03-21 EP disclosed
EP-2416755-A1 MELTING TABLET CONTAINING A SILDENAFIL SALT Ratiopharm GmbH (DE) 2012-02-15 EP disclosed
WO-2011076411-A1 ORODISPERSIBLE TABLET CONTAINED COMPACTED SILDENAFIL BASE RATIOPHARM GMBH (DE) 2011-06-30 WO disclosed
EP-2338474-A1 Fusion tablet containing compacted sildenafil base Ratiopharm GmbH (DE) 2011-06-29 EP disclosed
WO-2011072839-A1 ORODISPERSIBLE TABLET, CONTAINING DAPOXETINE RATIOPHARM GMBH (DE) 2011-06-23 WO disclosed
WO-2010130393-A2 ORODISPERSIBLE TABLET CONTAINING A VARDENAFIL SALT RATIOPHARM GMBH (DE) 2010-11-18 WO disclosed
WO-2010115576-A1 MELTING TABLET CONTAINING A SILDENAFIL SALT RATIOPHARM GMBH (DE) 2010-10-14 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 (1 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-20120071488-A1 MELTING TABLET CONTAINING A SILDENAFIL SALT PDE9A, SORD, TAS2R39 ALDH1A1 477/4885HPGD 446/4885ALOX12 4654/4885

“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.