SCHEMBL5004411

SCHEMBL5004411

[O]c1ccc(Cl)cc1-c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
MAOB P27338 1/20 0.37
CYP2A6 P11509 3/20 0.37
PTPRC P08575 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
S100A4 P26447 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2B6 P20813 1/20 0.36
IDH2 P48735 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
TDO2 P48775 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
TMIGD3 P0DMS9 2/20 0.35

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
SCHEMBL27684579 0.78 KCNH2 (0.52) CNR1CYP2A6CYP2E1CYP2B6KCNH2
SCHEMBL28179635 0.78 CYP2A6 (0.42) CNR1CYP2A6CYP2E1CYP2B6CYP11B1
SCHEMBL7852702 0.77 AHR (0.53) CNR1CYP2A6PTPRCCYP2E1CYP2B6
SCHEMBL5007013 0.76 AHR (0.45) CYP2A6S100A4
SCHEMBL28180441 0.74 CYP2A6 (0.42) CNR1CYP2A6PTPRCCYP2E1CYP2B6
SCHEMBL3830640 0.73 CNR1 (0.48) CNR1IDH2PPARGPPARA
SCHEMBL4050736 0.73 KEAP1 (0.48) CNR1IDH2PPARGPPARA
SCHEMBL7744328 0.72 CYP2A6 (0.52) MAOBCYP2A6PTPRCCYP2E1CYP2B6
SCHEMBL3830673 0.72 CNR1 (0.41) CNR1PPARGPPARATMIGD3ADORA2A
SCHEMBL4055219 0.72 TMIGD3 (0.53) CNR1TMIGD3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 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 (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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF CNR1 4797/4885MAOB 2086/4885CYP2A6 3637/4885

“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.