SCHEMBL1246138

SCHEMBL1246138

CC(C)(C)c1ccc(OC[C@@H]2Cn3c(nc4ccc(I)cc43)O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.53
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
APP P05067 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1495290 0.89 GRM2 (0.53) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL12831411 0.89 GRM2 (0.53) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1245401 0.88 GRM2 (0.53) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1495201 0.88 GRM2 (0.55) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1246003 0.88 GRM2 (0.53) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1246518 0.87 GRM2 (0.52) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1495099 0.85 GRM2 (0.54) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1245490 0.85 GRM2 (0.56) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1495105 0.84 GRM2 (0.53) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1495157 0.84 GRM2 (0.56) GRM2SMN1; SMN2NPSR1KMT2APOLB

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 5 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

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 1/4885SMN1; SMN2 1055/4885NPSR1 306/4885

“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.