SCHEMBL4127154

SCHEMBL4127154

CC(=NO)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OCC2CC2)cc1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
SIRT1 Q96EB6 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
OPRK1 P41145 1/20 0.31
CNR2 P34972 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SMYD2 Q9NRG4 1/20 0.30
PDE5A O76074 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
SCHEMBL4114627 0.89 PDE5A (0.40) RIPK1PDE5A
SCHEMBL4133338 0.78 NR1H4 (0.39) RIPK1PDCD1CD274CNR2
SCHEMBL4119489 0.73 RIPK1 (0.33) RIPK1CNR2
SCHEMBL4112434 0.73 RIPK1 (0.37) RIPK1PDCD1CD274HTR2C
SCHEMBL4115198 0.72 RIPK1 (0.37) RIPK1OPRK1CNR2HTR2C
SCHEMBL4127151 0.72 RIPK1 (0.34) RIPK1SIRT1
SCHEMBL4127161 0.72 RIPK1 (0.34) RIPK1SIRT1
SCHEMBL2914349 0.69 RIPK1 (0.41) RIPK1HTR2CSMYD2
SCHEMBL23517183 0.66 SMYD2 (0.37) RIPK1HTR2CSMYD2
SCHEMBL15822127 0.66 SMYD2 (0.37) RIPK1HTR2CSMYD2

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 RIPK1 3129/4885SIRT1 1857/4885PDCD1 4671/4885

“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.