SCHEMBL4040715

SCHEMBL4040715

CC(O[Si](C)(C)C(C)(C)C)c1cc(-c2cccc(I)c2)on1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.36
RPS6KB1 P23443 1/20 0.34
GRM5 P41594 4/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PPARA Q07869 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
CSF1R P07333 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
SCHEMBL4050874 0.81 TP53 (0.39) MLLT1GRM5TP53
SCHEMBL4041587 0.76 MLLT1 (0.41) MLLT1ALDH1A1HPGDPTPN1TP53
SCHEMBL4040717 0.72 NOTUM (0.37) RPS6KB1ALDH1A1HPGDPTPN1TP53
SCHEMBL29014062 0.67 TP53BP1 (0.33) SLC6A2
SCHEMBL14389104 0.66 GRM5 (0.51) GRM5ALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4051030 0.65 NOTUM (0.60) MLLT1ALDH1A1HPGDPTPN1TP53
SCHEMBL30628285 0.65 CA12 (0.44) SLC6A2
SCHEMBL3571948 0.65 CA12 (0.44) SLC6A2
SCHEMBL24092059 0.64 RPS6KB1 (0.50) MLLT1RPS6KB1GRM5ALDH1A1PTPN1
SCHEMBL3576395 0.64 CA12 (0.43) SLC6A2

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
EP-2027128-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-02-25 EP claimed
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 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-20070259895-A1 MGluR5 modulators VI GRM5, GRIK5, GRM6 MLLT1 3420/4885RPS6KB1 1038/4885GRM5 1/4885

“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.