SCHEMBL3498339

SCHEMBL3498339

CC(C)(C)[Si](C)(C)Oc1ccc(C=Nc2ccc(I)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.43
APP P05067 1/20 0.39
CA2 P00918 5/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3499959 1.00 S100B (0.43) S100BAPPCA2CA12CA9
SCHEMBL7822309 0.87 S100B (0.59) S100BAPPCA2CA12CA9
SCHEMBL7822307 0.87 S100B (0.59) S100BAPPCA2CA12CA9
SCHEMBL2746630 0.86 CA2 (0.44) S100BCA2CA12CA9PTGS2
SCHEMBL2746628 0.86 CA2 (0.44) S100BCA2CA12CA9PTGS2
SCHEMBL1118830 0.81 PREP (0.50) APPCA2CA12CA9PREP
SCHEMBL4024641 0.77 KMT2A (0.49) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL20871788 0.77 S100B (0.70) S100BAPPCA2CA12CA9
SCHEMBL4024645 0.77 KMT2A (0.49) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL7189378 0.72 CA12 (0.46) CA12CA9PTGS2ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125059-A1 1-BIARYLAZETIDINONE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2010-05-20 US disclosed
EP-2133347-A1 1-BIARYLAZETIDINONE DERIVATIVES Teijin Pharma Limited (JP) 2009-12-16 EP 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-20100125059-A1 1-BIARYLAZETIDINONE DERIVATIVE PCSK9, CYP46A1, HMGCR S100B 4793/4885APP 1895/4885CA2 2690/4885

“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.