SCHEMBL2171455

SCHEMBL2171455

N#Cc1ccc2nc3n(c2c1)CC(CCCCCCO)O3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.38
ACSS2 Q9NR19 1/20 0.33
CYP11B2 P19099 10/20 0.33
CYP11B1 P15538 8/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP4K4 O95819 2/20 0.31
CDK8 P49336 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
DAPK3 O43293 1/20 0.31
PRKACA P17612 1/20 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
SCHEMBL2174198 0.91 GRM2 (0.38) GRM2CYP11B2IRAK4KDM4EALDH1A1
SCHEMBL7918239 0.83 RAD52 (0.36) GRM2ACSS2KDM4E
SCHEMBL12441187 0.80 GRM2 (0.38) GRM2CYP11B2IRAK4KDM4EALDH1A1
SCHEMBL12441190 0.80 GRM2 (0.38) GRM2CYP11B2IRAK4KDM4EALDH1A1
SCHEMBL12441180 0.80 GRM2 (0.50) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441128 0.80 GRM2 (0.50) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441120 0.80 GRM2 (0.38) GRM2CYP11B2IRAK4KDM4EALDH1A1
SCHEMBL12441184 0.80 ALDH1A1 (0.36) GRM2KDM4EALDH1A1LMNAGLA
SCHEMBL2188670 0.79 ALDH1A1 (0.37) GRM2KDM4EALDH1A1LMNAGLA
SCHEMBL2220410 0.79 GPR6 (0.36) GRM2CYP11B2CYP11B1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346334-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-07-27 EP disclosed
US-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
WO-2010036544-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-04-01 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 (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-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 GRM2 1/4885ACSS2 2484/4885CYP11B2 624/4885

“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.