SCHEMBL8055439

SCHEMBL8055439

[2H]C([2H])([2H])n1nc(CCC)c(NC(=O)c2cc(S(=O)(=O)Cl)ccc2OCCC)c1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.54
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE5A O76074 5/20 0.33
S1PR3 Q99500 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1705329 0.95 TERT (0.61) TERTRXFP1MAPTPDE5ASMN1; SMN2
SCHEMBL8066739 0.92 TERT (0.45) TERTRXFP1MAPTHSD17B10S1PR3
SCHEMBL8125815 0.89 TERT (0.62) TERTRXFP1MAPTHSD17B10PDE5A
SCHEMBL8056309 0.88 TERT (0.50) TERTRXFP1MAPTHSD17B10PDE5A
SCHEMBL13662764 0.87 TERT (0.47) TERTRXFP1MAPTHSD17B10S1PR3
SCHEMBL8055429 0.85 TERT (0.56) TERTRXFP1MAPTHDAC1HDAC6
SCHEMBL8055436 0.82 PDE5A (0.56) TERTMAPTPDE5A
SCHEMBL6284529 0.81 TERT (0.53) TERTRXFP1HTTRAB9A
SCHEMBL13990468 0.80 TERT (0.53) TERTRXFP1PDE5APDE4DSMN1; SMN2
SCHEMBL4741016 0.78 PDE5A (0.58) TERTMAPTPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TERT 3651/4885RXFP1 682/4885MAPT 4520/4885

“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.