SCHEMBL4354615

SCHEMBL4354615

COc1cc(NCCCN2C(=O)c3ccccc3C2=O)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.73
PRKD3 O94806 2/20 0.62
PRKCG P05129 2/20 0.62
PRKCB P05771 2/20 0.62
PRKCA P17252 2/20 0.62
PRKCH P24723 2/20 0.62
PRKCI P41743 2/20 0.62
PRKCE Q02156 2/20 0.62
PRKCQ Q04759 2/20 0.62
PRKCZ Q05513 2/20 0.62
PRKCD Q05655 2/20 0.62
PRKD1 Q15139 2/20 0.62
MAOA P21397 13/20 0.48
MAOB P27338 13/20 0.48
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
DRD1 P21728 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL13811029 0.85 GSK3B (0.85) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL4353077 0.85 GSK3B (1.00) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL14424693 0.84 GSK3B (0.95) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL5496132 0.82 MAOA (0.54) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL11072984 0.82 GSK3B (0.81) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL11072864 0.81 GSK3B (0.80) GSK3BPRKD3PRKCGPRKCBPRKCA
Succinic Acid SCHEMBL4351482 0.81 GSK3B (0.88) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL4348850 0.81 GSK3B (0.77) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL6157510 0.78 ESR1 (0.63) GSK3BPRKD3PRKCGPRKCBPRKCA
SCHEMBL5705813 0.77 ESR1 (0.75) GSK3BPRKD3PRKCGPRKCBPRKCA

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-8809368-B2 Compounds affecting gap junction activity KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-20090143425-A1 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 US disclosed
WO-2007127930-A2 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-11-08 WO 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-20090143425-A1 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY GJB2, GJA1, GAP43 GSK3B 1455/4885PRKD3 1619/4885PRKCG 702/4885

“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.