SCHEMBL4964412

SCHEMBL4964412

N[Si](c1ncc[nH]1)(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NISCH Q9Y2I1 2/20 0.34
MTOR P42345 1/20 0.34
ADK P55263 1/20 0.34
ALOX15 P16050 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1374565 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL15140518 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL207 0.72
SCHEMBL28418820 0.69
SCHEMBL28215470 0.67
SCHEMBL68370 0.67
SCHEMBL1032912 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL27125044 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL9737657 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL7049007 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NISCHMTORADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130047890-A1 ORGANOMETALLIC COMPOUNDS PRAXAIR TECHNOLOGY, INC. 2013-02-28 US claimed
WO-2008002415-A2 PRECURSORS FOR DEPOSITING SILICON CONTAINING FILMS AND PROCESSES THEREOF PRAXAIR TECHNOLOGY, INC. (US) 2008-01-03 WO claimed
US-20070299274-A1 Organometallic compounds PRAXAIR TECHNOLOGY, INC. 2007-12-27 US claimed
US-20130052349-A1 ORGANOMETALLIC COMPOUNDS PRAXAIR TECHNOLOGY, INC. 2013-02-28 US disclosed
US-20130047890-A1 ORGANOMETALLIC COMPOUNDS PRAXAIR TECHNOLOGY, INC. 2013-02-28 US disclosed
US-8318966-B2 Organometallic compounds PRAXAIR TECHNOLOGY, INC. (US) 2012-11-27 US disclosed
WO-2008002415-A2 PRECURSORS FOR DEPOSITING SILICON CONTAINING FILMS AND PROCESSES THEREOF PRAXAIR TECHNOLOGY, INC. (US) 2008-01-03 WO disclosed
US-20070299274-A1 Organometallic compounds PRAXAIR TECHNOLOGY, INC. 2007-12-27 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 (3 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-20070299274-A1 Organometallic compounds NR1H3, NR1H2, NR1I3 ALDH1A1 2787/4885SMN1; SMN2 4311/4885NISCH 1797/4885
US-20130052349-A1 ORGANOMETALLIC COMPOUNDS NR1H3, NR1H2, NR1I3 ALDH1A1 2787/4885SMN1; SMN2 4311/4885NISCH 1797/4885
US-20130047890-A1 ORGANOMETALLIC COMPOUNDS NR1H3, NR1H2, NR1I3 ALDH1A1 2787/4885SMN1; SMN2 4311/4885NISCH 1797/4885

“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.