SCHEMBL4809767

SCHEMBL4809767

Cn1c(=O)cc(N)n(Cc2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 2/20 0.51
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.48
DHFR P00374 1/20 0.46
TYMS P04818 1/20 0.46
P2RX4 Q99571 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SRC P12931 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL4803167 0.86 CYP3A4 (0.65) CYP3A4L3MBTL1HPGDSMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL4803470 0.77 CYP3A4 (0.72) CYP3A4HPGDPKMSMN1; SMN2ALDH1A1
SCHEMBL9748739 0.77 CYP3A4 (0.68) CYP3A4HPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1332440 0.74 L3MBTL1 (0.46) L3MBTL1KMT2A
SCHEMBL8394965 0.74 L3MBTL1 (0.46) L3MBTL1KMT2A
SCHEMBL4813124 0.74 CYP3A4 (0.63) CYP3A4HPGDPKMSMN1; SMN2ALDH1A1
SCHEMBL4483468 0.73 L3MBTL1 (0.60) L3MBTL1PKMSMN1; SMN2DHFRTYMS
SCHEMBL9387165 0.72 CASP1 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL6510739 0.71 KMT2A (0.72) PKMSMN1; SMN2ALDH1A1P2RX4KMT2A
SCHEMBL17242527 0.70 KMT2A (0.54) SMN1; SMN2P2RX4KMT2AMEN1SRC

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 12 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-6919337-B2 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2005-07-19 US disclosed
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP (GB) 2005-03-10 US disclosed
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2004-02-26 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 (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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR CYP3A4 1061/4885L3MBTL1 4499/4885HPGD 390/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 634/4885L3MBTL1 4086/4885HPGD 355/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 618/4885L3MBTL1 3958/4885HPGD 342/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 730/4885L3MBTL1 4393/4885HPGD 251/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 618/4885L3MBTL1 3958/4885HPGD 342/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 1064/4885L3MBTL1 4383/4885HPGD 481/4885

“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.