SCHEMBL5345549

SCHEMBL5345549

Cc1cc(C=O)cc2c1OCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.43
PGR P06401 3/20 0.43
NR3C1 P04150 2/20 0.43
MMP12 P39900 1/20 0.43
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
PARP1 P09874 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 4/20 0.34
ADRB2 P07550 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4264945 0.84 PGR (0.46) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL5340556 0.83 IL4I1 (0.43) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL4258332 0.81 ALDH1A1 (0.47) NR3C2PGRNR3C1MMP12TP53
SCHEMBL13932133 0.81 ALDH1A1 (0.47) NR3C2PGRNR3C1MMP12TP53
SCHEMBL3276712 0.81 NR3C2 (0.44) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL29952529 0.81 NR3C2 (0.44) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL532299 0.81 ALDH1A1 (0.39) MMP12PDE3BPDE3ATP53MAPT
SCHEMBL4102418 0.80 PDE3B (0.56) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL4260635 0.80 NR3C2 (0.46) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL4266640 0.79 NR3C2 (0.43) NR3C2PGRNR3C1MMP12TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
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 NR3C2 1315/4885PGR 693/4885NR3C1 1844/4885

“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.