SCHEMBL1765563

SCHEMBL1765563

N#Cc1ccc2c(c1)nc1n2C[C@@H](CO)O1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.35
RORC P51449 1/20 0.34
PTGES O14684 1/20 0.34
CYP11B1 P15538 3/20 0.33
MMP14 P50281 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TNKS O95271 2/20 0.32
IDH1 O75874 2/20 0.32
GRM2 Q14416 1/20 0.32
NOTUM Q6P988 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM1A O60341 1/20 0.32

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 0.86 GRM2 (0.38) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL12441190 0.82 GRM2 (0.38) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL12441187 0.82 GRM2 (0.38) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL12441120 0.82 GRM2 (0.38) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL12441128 0.82 GRM2 (0.50) KDM4EALDH1A1GLAGAAGRM2
SCHEMBL12441180 0.82 GRM2 (0.50) KDM4EALDH1A1GLAGAAGRM2
SCHEMBL1512867 0.81 KDM4E (0.34) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL2220917 0.80 GRM2 (0.35) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL12441129 0.80 GRM2 (0.35) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL1512228 0.80 GRM2 (0.38) KDM4EIDH1GRM2

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
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
WO-2009140163-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK & CO., INC. (US) 2009-11-19 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-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 CYP11B2 624/4885KDM4E 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.