SCHEMBL4741016

SCHEMBL4741016

CCCOc1ccc(S(=O)(=O)NCCC2CCCN2C)cc1C(=O)Nc1c(CCC)nn(C)c1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.58
TERT O14746 5/20 0.49
CA2 P00918 2/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
CA9 Q16790 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL8055436 0.97 PDE5A (0.56) PDE5ATERTCA2DRD2DRD1
SCHEMBL8065352 0.93 PDE5A (0.52) PDE5ATERTCA2DRD2DRD1
SCHEMBL8055635 0.91 PDE5A (0.51) PDE5ATERTCA2DRD2DRD1
SCHEMBL1706222 0.89 TERT (0.49) PDE5ATERTCA2DRD2DRD1
SCHEMBL14107016 0.84 PDE5A (0.57) PDE5ACA2DRD2DRD1DRD4
SCHEMBL4900976 0.82 TERT (0.50) PDE5ATERT
SCHEMBL13662766 0.82 PDE5A (0.42) PDE5ATERTCA2DRD2DRD1
SCHEMBL1705329 0.81 TERT (0.61) PDE5ATERTMAPTLMNA
SCHEMBL5739554 0.81 TERT (0.50) PDE5ATERT
SCHEMBL8055439 0.78 TERT (0.54) PDE5ATERTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100886-A1 PREPARATION AND USE OF DEUTERATED UDENAFIL ANALOGUES AS HIGHLY SELECTIVE PDE5 MODULATORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100886-A1 PREPARATION AND USE OF DEUTERATED UDENAFIL ANALOGUES AS HIGHLY SELECTIVE PDE5 MODULATORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 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 (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-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A PDE5A 1/4885TERT 3651/4885CA2 1429/4885

“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.