SCHEMBL5339919

SCHEMBL5339919

CN1CC(=O)Nc2cc(/C=C3/SC(=S)NC3=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 6/20 0.53
MYC P01106 4/20 0.53
MAX P61244 4/20 0.53
PDE4B Q07343 2/20 0.53
PDE3A Q14432 2/20 0.53
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
PIM1 P11309 1/20 0.52
KMT2A Q03164 1/20 0.52
CISD1 Q9NZ45 3/20 0.50
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CLK1 P49759 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MAOA P21397 1/20 0.50

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
SCHEMBL5339921 1.00 NAT1 (0.53) NAT1MYCMAXPDE4BPDE3A
SCHEMBL5338452 0.76 ALDH1A1 (0.44) MEN1KMT2A
SCHEMBL24999618 0.75 NAT1 (0.52) NAT1MYCMAXPDE4BPDE3A
SCHEMBL24992368 0.74 CSNK2A2 (0.60) NAT1MYCMAXPDE4BPDE3A
SCHEMBL5351962 0.74 PIK3CG (0.67) NAT1MEN1KMT2ACISD1
SCHEMBL5351965 0.74 PIK3CG (0.67) NAT1MEN1KMT2ACISD1
SCHEMBL5339491 0.74 NAT1 (0.56) NAT1MYCMAXPDE4BPDE3A
SCHEMBL5339497 0.74 NAT1 (0.56) NAT1MYCMAXPDE4BPDE3A
SCHEMBL5342146 0.73 CSNK2A2 (0.61) NAT1MYCMAXPDE4BPDE3A
SCHEMBL5342147 0.73 CSNK2A2 (0.61) NAT1MYCMAXPDE4BPDE3A

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 2652/4885MYC 4004/4885MAX 3467/4885

“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.