SCHEMBL5336102

SCHEMBL5336102

O=C1COc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.59
NAT1 P18440 5/20 0.57
MYC P01106 3/20 0.51
MAX P61244 3/20 0.51
PIM1 P11309 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
PTP4A3 O75365 1/20 0.47
CA2 P00918 1/20 0.47
EPHX1 P07099 1/20 0.47
CISD1 Q9NZ45 4/20 0.46
PDE4B Q07343 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
SCHEMBL5336100 1.00 DNM1 (0.59) DNM1NAT1MYCMAXPIM1
SCHEMBL5341980 0.87 DNM1 (0.51) DNM1NAT1MYCMAXMEN1
SCHEMBL5396619 0.87 MEN1 (0.60) DNM1NAT1MYCMAXMEN1
SCHEMBL5341982 0.87 DNM1 (0.51) DNM1NAT1MYCMAXMEN1
SCHEMBL5340057 0.84 PDE4B (0.63) NAT1PIM1MEN1ALDH1A1LMNA
SCHEMBL5340064 0.84 PDE4B (0.63) NAT1PIM1MEN1ALDH1A1LMNA
SCHEMBL5342146 0.79 CSNK2A2 (0.61) NAT1MYCMAXPIM1MEN1
SCHEMBL5342147 0.79 CSNK2A2 (0.61) NAT1MYCMAXPIM1MEN1
SCHEMBL5344157 0.77 DNM1 (0.48) DNM1NAT1MYCMAXPIM1
SCHEMBL5344161 0.77 DNM1 (0.48) DNM1NAT1MYCMAXPIM1

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 DNM1 4688/4885NAT1 2652/4885MYC 4004/4885

“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.