SCHEMBL1765124

SCHEMBL1765124

CC(C)(C)c1ccc(OC[C@@H]2Cn3c(nc4cnccc43)O2)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
DRD4 P21917 4/20 0.35
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL1512286 0.88 GRM2 (0.41) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1765615 0.88 GRM2 (0.53) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1512162 0.84 GRM2 (0.39) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL8007502 0.84 GRM2 (0.39) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL8013052 0.84 GRM2 (0.45) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL12597634 0.84 SMN1; SMN2 (0.44) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1512463 0.83 GRM2 (0.42) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1512883 0.83 GRM2 (0.42) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1511916 0.83 GRM2 (0.41) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL2454633 0.83 GRM2 (0.41) GRM2SMN1; SMN2NPSR1POLBKMT2A

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 claimed
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

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 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.