SCHEMBL1309385

SCHEMBL1309385

CC(C)(C)[Si](C)(C)OCCCCCCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.45
DUT P33316 1/20 0.39
GNAO1 P09471 4/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GNAI3 P08754 3/20 0.36
GNAI1 P63096 3/20 0.36
HRH3 Q9Y5N1 2/20 0.35
SOD3 P08294 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL1640235 0.87 SIGMAR1 (0.37) CXCR4DUTMEN1ALDH1A1MAPT
SCHEMBL2302740 0.81 CXCR4 (0.46) CXCR4DUTMEN1KMT2ASMN1; SMN2
SCHEMBL27039012 0.77 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30123669 0.77 HRH3 (0.46) DUTHRH3
SCHEMBL13801835 0.77 CXCR4 (0.50) CXCR4GNAO1MEN1ALDH1A1MAPT
SCHEMBL29868265 0.76 CXCR4 (0.46) CXCR4MEN1ALDH1A1MAPTKMT2A
SCHEMBL29683731 0.76 SIGMAR1 (0.33) DUTSMN1; SMN2SIGMAR1
SCHEMBL14245094 0.75 DUT (0.42) DUT
SCHEMBL9007756 0.75 DUT (0.42) DUT
SCHEMBL27241092 0.75 DUT (0.42) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 CXCR4 163/4885DUT 3812/4885GNAO1 529/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 CXCR4 413/4885DUT 3717/4885GNAO1 435/4885

“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.