SCHEMBL1765301

SCHEMBL1765301

CC(C)(c1ccc(OC[C@@H]2Cn3c(nc4cc(C#N)ccc43)O2)cn1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.38
GRM2 Q14416 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.33
PDE2A O00408 1/20 0.33
CHRNA7 P36544 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 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
SCHEMBL1511916 0.91 GRM2 (0.41) IDH1GRM2SMN1; SMN2NPSR1POLB
SCHEMBL2454633 0.91 GRM2 (0.41) IDH1GRM2SMN1; SMN2NPSR1POLB
SCHEMBL1765212 0.85 IDH1 (0.36) IDH1GRM2SMN1; SMN2NPSR1CNR2
SCHEMBL1511757 0.85 GRM2 (0.33) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1765583 0.84 GRM2 (0.41) IDH1GRM2SMN1; SMN2NPSR1POLB
SCHEMBL1765157 0.84 GRM2 (0.39) IDH1GRM2SMN1; SMN2NPSR1POLB
SCHEMBL1245592 0.84 GRM2 (0.52) IDH1GRM2SMN1; SMN2NPSR1POLB
SCHEMBL1511789 0.83 KDM4E (0.41) IDH1GRM2SMN1; SMN2NPSR1POLB
SCHEMBL1512228 0.83 GRM2 (0.38) IDH1GRM2SMN1; SMN2NPSR1POLB
SCHEMBL12648952 0.82 GRM2 (0.38) IDH1GRM2SMN1; SMN2NPSR1POLB

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
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 IDH1 1046/4885GRM2 1/4885SMN1; 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.