SCHEMBL4803167

SCHEMBL4803167

Cn1c(=O)cc(N)n(Cc2cccc([N+](=O)[O-])c2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
HPGD P15428 4/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.49
NOX4 Q9NPH5 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4809767 0.86 CYP3A4 (0.66) CYP3A4HPGDKMT2ALMNANOX4
Acetic Acid SCHEMBL4812178 0.76 CYP3A4 (0.71) CYP3A4HPGDKMT2ALMNAALDH1A1
SCHEMBL7455537 0.73 PGR (0.54) HPGDKMT2ALMNANOX4MAPT
SCHEMBL8182242 0.72 HPGD (0.51) CYP3A4HPGDKMT2ALMNAMAPT
SCHEMBL1937950 0.70 ALDH1A1 (0.54) HPGDKMT2ALMNAMAPTL3MBTL1
SCHEMBL11619414 0.70 TSHR (0.48) HPGDKMT2ANOX4MAPTALDH1A1
Hydrochloric Acid SCHEMBL19896382 0.69 NOX4 (0.55) HPGDKMT2ALMNANOX4MAPT
SCHEMBL30616061 0.69 KMT2A (0.69) HPGDKMT2ALMNANOX4MAPT
SCHEMBL29093452 0.69 KMT2A (0.69) HPGDKMT2ALMNANOX4MAPT
SCHEMBL9748739 0.69 CYP3A4 (0.68) CYP3A4HPGDKMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361661-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2008-04-22 US disclosed
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP 2006-08-03 US disclosed
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2006-05-18 US disclosed
US-7019136-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2006-03-28 US disclosed
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP (GB) 2005-03-10 US disclosed
EP-1268480-B1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2003-11-05 EP disclosed
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors BHALAY GURDIP (GB) 2003-09-11 US disclosed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 US disclosed
EP-1268480-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS Novartis AG (CH) 2003-01-02 EP disclosed
WO-2001077110-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2001-10-18 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 (5 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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR CYP3A4 1061/4885HPGD 390/4885KMT2A 4298/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 634/4885HPGD 355/4885KMT2A 2018/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 618/4885HPGD 342/4885KMT2A 1786/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 618/4885HPGD 342/4885KMT2A 1786/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 1064/4885HPGD 481/4885KMT2A 1504/4885

“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.