SCHEMBL5340744

SCHEMBL5340744

O=C1NC(=S)SC1=Cc1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CS2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 2/20 0.60
PIK3CG P48736 11/20 0.60
PIK3C2A O00443 2/20 0.60
PIK3C2B O00750 2/20 0.60
PIK3CA P42336 2/20 0.60
PRKDC P78527 2/20 0.60
PIK3R1 P27986 1/20 0.60
PIK3C3 Q8NEB9 1/20 0.60
PIK3CD O00329 1/20 0.60
PIK3CB P42338 1/20 0.60
ADAMTS5 Q9UNA0 1/20 0.48
CISD1 Q9NZ45 1/20 0.47
MYC P01106 2/20 0.47
MAX P61244 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.46
IGF1R P08069 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
SCHEMBL5340741 1.00 NAT1 (0.60) NAT1PIK3CGPIK3C2APIK3C2BPIK3CA
SCHEMBL5343554 0.89 PIK3CG (0.68) NAT1PIK3CGPIK3C2APIK3C2BPIK3CA
SCHEMBL5343557 0.89 PIK3CG (0.68) NAT1PIK3CGPIK3C2APIK3C2BPIK3CA
SCHEMBL5341160 0.83 PIK3CG (0.60) PIK3CGPIK3C2APIK3C2BPIK3CAPRKDC
SCHEMBL5341167 0.83 PIK3CG (0.60) PIK3CGPIK3C2APIK3C2BPIK3CAPRKDC
SCHEMBL5338009 0.83 KMT2A (0.45) NAT1PIK3CGPIK3C2APIK3C2BPIK3CA
SCHEMBL5346593 0.83 PIK3CG (0.85) PIK3CGPIK3C2APIK3C2BPIK3CAPRKDC
SCHEMBL5346600 0.83 PIK3CG (0.85) PIK3CGPIK3C2APIK3C2BPIK3CAPRKDC
SCHEMBL6781138 0.77 NAT1 (1.00) NAT1ADAMTS5CISD1MYCMAX
SCHEMBL7962398 0.77 NAT1 (1.00) NAT1ADAMTS5CISD1MYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 NAT1 2652/4885PIK3CG 4186/4885PIK3C2A 4721/4885

“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.