SCHEMBL4078199

SCHEMBL4078199

C[Si](C)(C)CCOCn1cnc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.40
MAPK12 P53778 7/20 0.40
MAPK11 Q15759 7/20 0.40
MAPK14 Q16539 7/20 0.40
PTGS2 P35354 5/20 0.40
DGAT1 O75907 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PTPN1 P18031 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34

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
SCHEMBL4064723 0.88 PTGS2 (0.50) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL4076134 0.87 OPRL1 (0.38) DGAT1
SCHEMBL1127905 0.81 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL1127963 0.81 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL5091252 0.74 TP53 (0.43) PTGS2LMNASMN1; SMN2
SCHEMBL4073623 0.74 DGAT1 (0.40) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL4695367 0.74 MAPK1 (0.39) NPSR1LMNASMN1; SMN2
SCHEMBL4697520 0.74 MAPK1 (0.39) NPSR1LMNASMN1; SMN2
SCHEMBL4697521 0.74 LMNA (0.39) NPSR1LMNA
SCHEMBL22075191 0.73 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14DGAT1

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-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 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 (2 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-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 MAPK13 998/4885MAPK12 690/4885MAPK11 611/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 MAPK13 998/4885MAPK12 690/4885MAPK11 611/4885

“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.