SCHEMBL16769810

SCHEMBL16769810

CCO[Si](CCCNc1nc(NCCC[Si](OCC)(OCC)OCC)nc(NCNC)n1)(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
DNM2 P50570 1/20 0.31
SLC29A1 Q99808 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL19632995 0.94 DNM2 (0.31) KCNH3CYP1A2CYP2C19KMT2ADNM2
SCHEMBL16769808 0.93 KCNH3 (0.30) KCNH3KMT2A
SCHEMBL30033261 0.91 CYP1A2 (0.38) KCNH3CYP1A2CYP2C19KMT2ADNM2
SCHEMBL16628481 0.83 GAA (0.34) KCNH3CYP1A2CYP2C19KMT2ADNM2
SCHEMBL20740695 0.83 KMT2A (0.50) KCNH3CYP1A2CYP2C19KMT2ADNM2
SCHEMBL25174972 0.83 KCNH3 (0.33) KCNH3CYP1A2CYP2C19KMT2ADNM2
SCHEMBL16628597 0.83 KCNH3 (0.33) KCNH3CYP1A2CYP2C19KMT2ADNM2
SCHEMBL16769803 0.83 KMT2A (0.50) KMT2AMAPTHTTCA1CA2
SCHEMBL16628588 0.83 KCNH3 (0.33) KCNH3CYP1A2CYP2C19KMT2ADNM2
SCHEMBL20656500 0.81 KMT2A (0.38) KCNH3KMT2ADNM2MAPTHTT

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 KCNH3 1502/4885CYP1A2 1014/4885CYP2C19 2319/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM KCNH3 1879/4885CYP1A2 2298/4885CYP2C19 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.