SCHEMBL2174198

SCHEMBL2174198

N#Cc1ccc2c(c1)nc1n2CC(CCCCCCO)O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CYP11B2 P19099 1/20 0.33
RORC P51449 1/20 0.32
ITK Q08881 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
MMP14 P50281 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL2171455 0.91 GRM2 (0.38) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441180 0.89 GRM2 (0.50) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441128 0.89 GRM2 (0.50) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441190 0.89 GRM2 (0.38) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441120 0.89 GRM2 (0.38) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441187 0.89 GRM2 (0.38) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL1765563 0.86 CYP11B2 (0.39) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL12441129 0.85 GRM2 (0.35) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL2220917 0.85 GRM2 (0.35) GRM2KDM4EALDH1A1GLAGAA
SCHEMBL7926084 0.83 KDM4E (0.38) GRM2KDM4EALDH1A1

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 1/4885KDM4E 2667/4885ALDH1A1 2414/4885

“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.