SCHEMBL8055429

SCHEMBL8055429

[2H]C([2H])([2H])n1nc(CCC)c(NC(=O)c2ccccc2OCCC)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.56
RXFP1 Q9HBX9 2/20 0.42
BRD4 O60885 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HIF1A Q16665 1/20 0.41
NR3C1 P04150 1/20 0.39
PNLIP P16233 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1669 0.93 TERT (0.64) TERTRXFP1BRD4MEN1KMT2A
SCHEMBL8065704 0.91 TERT (0.46) TERTRXFP1BRD4MEN1KMT2A
SCHEMBL1792 0.86 TERT (0.65) TERTRXFP1MEN1KMT2ALMNA
SCHEMBL30357138 0.86 TERT (0.65) TERTRXFP1MEN1KMT2ALMNA
SCHEMBL8067045 0.85 TERT (0.52) TERTRXFP1BRD4MEN1KMT2A
SCHEMBL8055439 0.85 TERT (0.54) TERTRXFP1MAPTHDAC6NR3C1
SCHEMBL13662765 0.85 TERT (0.48) TERTRXFP1BRD4MEN1KMT2A
SCHEMBL1443 0.82 TERT (0.60) TERTNR1I2LMNAMAPTNPC1
SCHEMBL3670031 0.80 TERT (0.63) TERTNR1I2LMNAMAPTNPC1
SCHEMBL742 0.79 TERT (0.51) TERTRXFP1MEN1KMT2ALMNA

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 682/4885BRD4 3532/4885

“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.