Sugi Predict

Sugi Predict / Compounds / SCHEMBL1245490

SCHEMBL1245490

SCHEMBL1245490

CC(C)(C)c1ccc(OC[C@@H]2Cn3c(nc4ccccc43)O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.56
▸ TP53 P04637 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL1246280 0.91 GRM2 (0.47) GRM2TP53SMN1; SMN2MAPTKDM4E
SCHEMBL1495292 0.89 GRM2 (0.45) GRM2TP53SMN1; SMN2MAPTKDM4E
SCHEMBL1495099 0.89 GRM2 (0.54) GRM2TP53SMN1; SMN2MAPTKDM4E
SCHEMBL1495124 0.89 GRM2 (0.53) GRM2SMN1; SMN2MAPTKDM4ENPSR1
SCHEMBL1495188 0.89 GRM2 (0.45) GRM2TP53SMN1; SMN2MAPTKDM4E
SCHEMBL1495172 0.88 GRM2 (0.55) GRM2SMN1; SMN2MAPTKDM4ENPSR1
SCHEMBL1512226 0.87 GRM2 (0.47) GRM2SMN1; SMN2MAPTKDM4ENPSR1
SCHEMBL1495060 0.86 GRM2 (0.45) GRM2SMN1; SMN2MAPTKDM4ENPSR1
SCHEMBL1511434 0.86 GRM2 (0.41) GRM2TP53SMN1; SMN2MAPTKDM4E
SCHEMBL1512286 0.86 GRM2 (0.41) GRM2SMN1; SMN2MAPTKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065669-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-17 — — US claimed
EP-2279532-A2 OXAZOLOBENZIMIDAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-02-02 — — EP claimed
WO-2009140166-A2 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK & CO., INC. (US) 2009-11-19 — — WO claimed
US-20110065669-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-17 — — US disclosed
US-20110065669-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-17 — — US disclosed
US-20110065669-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-17 — — US disclosed
EP-2279532-A2 OXAZOLOBENZIMIDAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-02-02 — — EP disclosed
WO-2009140166-A2 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK & CO., INC. (US) 2009-11-19 — — WO disclosed
WO-2009140166-A2 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-20110065669-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 GRM2 1/4885TP53 4877/4885SMN1; SMN2 1055/4885

“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.