SCHEMBL492529

SCHEMBL492529

O=[N+]([O-])c1ccc2c(c1O)OC(CO)CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ERN1 O75460 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MAPT P10636 7/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.32
MAOA P21397 1/20 0.32
PRKAB2 O43741 2/20 0.31

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
SCHEMBL8116646 0.85 TXNRD1 (0.40) TXNRD1TXNRD3TXNRD2NPC1RAB9A
SCHEMBL10305220 0.83 TXNRD1 (0.39) TXNRD1TXNRD3TXNRD2NPC1RAB9A
SCHEMBL8125480 0.83 TXNRD1 (0.39) TXNRD1TXNRD3TXNRD2NPC1RAB9A
SCHEMBL21839054 0.82 NPC1 (0.46) NPC1RAB9AERN1GPR35MAPT
SCHEMBL21198065 0.82 NPC1 (0.46) NPC1RAB9AERN1GPR35MAPT
SCHEMBL3029367 0.82 MAPT (0.39) TXNRD1TXNRD3TXNRD2NPC1RAB9A
SCHEMBL13222350 0.82 TXNRD1 (0.38) TXNRD1TXNRD3TXNRD2NPC1RAB9A
SCHEMBL3027768 0.82 MAPT (0.39) TXNRD1TXNRD3TXNRD2NPC1RAB9A
SCHEMBL4523570 0.80 TXNRD1 (0.36) TXNRD1TXNRD3TXNRD2NPC1RAB9A
SCHEMBL13222372 0.80 MAPT (0.44) TXNRD1TXNRD3TXNRD2NPC1RAB9A

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
US-8791124-B2 Use of phosphordiesterase inhibitors in the treatment of prostatic diseases UROPEP BIOTECH GBR (DE) 2014-07-29 US claimed
US-20120172365-A1 USE OF PHOSPHORDIESTERASE INHIBITORS IN THE TREATMENT OF PROSTATIC DISEASES UROPEP BIOTECH GBR 2012-07-05 US claimed
US-8106061-B2 Use of phosphodiesterase inhibitors in the treatment of prostatic diseases UROPEP BIOTECH GBR (DE) 2012-01-31 US claimed
US-20030199517-A1 Comprises 2-(2-propoxyphenyl)-8-azapurin-6-one (zaprinast); for treatment of benign prostatic hyperplasia and urination disorders WOLF-GEORG FORSSMANN 2003-10-23 US claimed
US-20020025969-A1 Genign prostatic hyperolasia ERFINDERGEMEINSCHAFT UROPEP GBR (DE) 2002-02-28 US claimed
US-8791124-B2 Use of phosphordiesterase inhibitors in the treatment of prostatic diseases UROPEP BIOTECH GBR (DE) 2014-07-29 US disclosed
US-8791124-B2 Use of phosphordiesterase inhibitors in the treatment of prostatic diseases UROPEP BIOTECH GBR (DE) 2014-07-29 US disclosed
US-20120172365-A1 USE OF PHOSPHORDIESTERASE INHIBITORS IN THE TREATMENT OF PROSTATIC DISEASES UROPEP BIOTECH GBR 2012-07-05 US disclosed
US-20120172365-A1 USE OF PHOSPHORDIESTERASE INHIBITORS IN THE TREATMENT OF PROSTATIC DISEASES UROPEP BIOTECH GBR 2012-07-05 US disclosed
US-20030199517-A1 Comprises 2-(2-propoxyphenyl)-8-azapurin-6-one (zaprinast); for treatment of benign prostatic hyperplasia and urination disorders WOLF-GEORG FORSSMANN 2003-10-23 US disclosed
US-20030199517-A1 Comprises 2-(2-propoxyphenyl)-8-azapurin-6-one (zaprinast); for treatment of benign prostatic hyperplasia and urination disorders WOLF-GEORG FORSSMANN 2003-10-23 US disclosed
US-20020025969-A1 Genign prostatic hyperolasia ERFINDERGEMEINSCHAFT UROPEP GBR (DE) 2002-02-28 US disclosed
US-20020025969-A1 Genign prostatic hyperolasia ERFINDERGEMEINSCHAFT UROPEP GBR (DE) 2002-02-28 US disclosed
WO-1999002161-A1 USE OF PHOSPHORDIESTERASE INHIBITORS IN THE TREATMENT OF PROSTATIC DISEASES FORSSMANN WOLF GEORG (DE) 1999-01-21 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 (3 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-20120172365-A1 USE OF PHOSPHORDIESTERASE INHIBITORS IN THE TREATMENT OF PROSTATIC DISEASES PDE5A, PDE7A, PDE12 TXNRD1 2016/4885TXNRD3 2049/4885TXNRD2 2099/4885
US-20030199517-A1 Comprises 2-(2-propoxyphenyl)-8-azapurin-6-one (zaprinast); for treatment of benign prostatic hyperplasia and urination disorders PDE12, PDE5A, QDPR TXNRD1 2004/4885TXNRD3 2157/4885TXNRD2 2070/4885
US-20020025969-A1 Genign prostatic hyperolasia PDE5A, PDE3A, PDE2A TXNRD1 961/4885TXNRD3 730/4885TXNRD2 1523/4885

“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.