SCHEMBL1495099

SCHEMBL1495099

CC(C)(C)c1ccc(OC[C@@H]2Cn3c(nc4cc5ccccc5cc43)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.54
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
CYP2C19 P33261 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1245490 0.89 GRM2 (0.56) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL1495105 0.88 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL1495157 0.88 GRM2 (0.56) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL1244357 0.86 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL12831411 0.86 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL12831258 0.86 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL1495290 0.86 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL1245401 0.85 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL1245612 0.85 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB
SCHEMBL1246138 0.85 GRM2 (0.53) GRM2MAPTKDM4EKMT2APOLB

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-20110065669-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-17 US 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

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 1/4885MAPT 1078/4885KDM4E 2667/4885

“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.