SCHEMBL1765743

SCHEMBL1765743

COc1cc2c(cc1C#N)nc1n2C[C@@H](COc2ccc(C(C)(C)C)nc2)O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD4 P21917 2/20 0.31
AR P10275 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
CYP2C19 P33261 1/20 0.30
S1PR1 P21453 1/20 0.30
RET P07949 1/20 0.30
IKBKE Q14164 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL1512235 0.97 GRM2 (0.36) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL1511757 0.92 GRM2 (0.33) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL8008821 0.88 GRM2 (0.37) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL1511916 0.84 GRM2 (0.41) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL1765583 0.84 GRM2 (0.41) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL2454633 0.84 GRM2 (0.41) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL1512463 0.83 GRM2 (0.42) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL12597634 0.82 SMN1; SMN2 (0.44) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL1512162 0.80 GRM2 (0.39) GRM2SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL1765245 0.80 GRM2 (0.39) GRM2SMN1; SMN2NPSR1MAPTKDM4E

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.