SCHEMBL16769802

SCHEMBL16769802

CCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1nc(NCCN)nc(NCNC)n1)(OCC)OCC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16628414 0.94 CYP1A2 (0.33) CYP1A2GAACYP2C19L3MBTL1
SCHEMBL16769808 0.86 KCNH3 (0.30)
SCHEMBL16628599 0.81 SMN1; SMN2 (0.31)
SCHEMBL975684 0.79 SLC29A1 (0.34)
SCHEMBL16628588 0.79 KCNH3 (0.33) CYP1A2CYP2C19
SCHEMBL16769810 0.79 KCNH3 (0.33) CYP1A2CYP2C19
SCHEMBL16628597 0.79 KCNH3 (0.33) CYP1A2CYP2C19
SCHEMBL20740706 0.77 SLC29A1 (0.39)
SCHEMBL23327153 0.77 SLC29A1 (0.33)
SCHEMBL20740721 0.77 DNM2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 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 (2 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET CYP1A2 1014/4885GAA 1082/4885CYP2C19 2319/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM CYP1A2 2298/4885GAA 645/4885CYP2C19 4298/4885

“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.