SCHEMBL589858

SCHEMBL589858

COc1ccc2ncnc(NCCCC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.49
GRM2 Q14416 3/20 0.47
SIGMAR1 Q99720 4/20 0.46
CLK4 Q9HAZ1 4/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C9 P11712 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK1 P49759 2/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL590285 1.00 PDE5A (0.49) PDE5AGRM2SIGMAR1CLK4USP2
SCHEMBL589860 1.00 PDE5A (0.49) PDE5AGRM2SIGMAR1CLK4USP2
SCHEMBL590323 0.86 GRM2 (0.47) PDE5AGRM2SIGMAR1MEN1KMT2A
SCHEMBL590486 0.86 GRM2 (0.47) PDE5AGRM2SIGMAR1MEN1KMT2A
SCHEMBL591827 0.86 GRM2 (0.47) PDE5AGRM2SIGMAR1MEN1KMT2A
SCHEMBL590021 0.83 GRM2 (0.48) GRM2SIGMAR1LMNACLK1
SCHEMBL590023 0.83 GRM2 (0.48) GRM2SIGMAR1LMNACLK1
SCHEMBL591586 0.83 GRM2 (0.48) GRM2SIGMAR1LMNACLK1
SCHEMBL591079 0.79 KCNH2 (0.46) GRM2SIGMAR1LMNACLK1
SCHEMBL591077 0.79 KCNH2 (0.46) GRM2SIGMAR1LMNACLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY PDE5A 3660/4885GRM2 4516/4885SIGMAR1 33/4885

“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.