SCHEMBL1950697

SCHEMBL1950697

C1=CC2=CC=C1C2.CC(C)(C)[Si](ON)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMYD2 Q9NRG4 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
SCHEMBL4835281 0.84 MAPK1 (0.34) AOC3CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL1952297 0.77 SMYD2 (0.31) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL5322844 0.70 PTGS2 (0.31)
SCHEMBL707090 0.69 MAPK1 (0.34) AOC3CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL15888456 0.68 MAPK1 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL79874 0.68 MAPK1 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
Hydroxyamine SCHEMBL9901947 0.67 ALDH1A1 (0.35) AOC3CYP3A4SMYD2
SCHEMBL704188 0.67 MAPK1 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL20954476 0.66 TAAR1 (0.34)
SCHEMBL4863255 0.66 IDO1 (0.42) CYP3A4HTTSMN1; SMN2SMYD2

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-8404650-B2 Methods of treating cancer with doxazolidine and prodrugs thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-03-26 US disclosed
US-20110135618-A1 METHODS OF TREATING CANCER WITH DOXAZOLIDINE AND PRODRUGS THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2011-06-09 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-20110135618-A1 METHODS OF TREATING CANCER WITH DOXAZOLIDINE AND PRODRUGS THEREOF DNPEP, PEPD, PREP AOC3 1122/4885CYP3A4 293/4885HTT 4486/4885

“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.