SCHEMBL4174493

SCHEMBL4174493

O=C1CC=C(c2ccc3c(c2)NC(=O)CO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
NR3C2 P08235 10/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.49
PARP1 P09874 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PGR P06401 6/20 0.45
NR3C1 P04150 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AR P10275 1/20 0.44

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
SCHEMBL615263 0.74 PTGS2 (0.45) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL304764 0.74 MAPT (0.62) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL7342072 0.73 PDE3B (0.67) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL4267784 0.73 PKM (0.59) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL19188055 0.73 MMP12 (0.77) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL4264682 0.73 MMP12 (0.58) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL14600795 0.72 NR3C2 (0.54) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL25358350 0.71 NR3C2 (0.60) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL30193973 0.71 NR3C2 (0.60) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL5214057 0.71 ALDH1A1 (0.60) MMP12NR3C2ALDH1A1MAPTHPGD

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-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX MMP12 3958/4885NR3C2 712/4885ALDH1A1 313/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX MMP12 3496/4885NR3C2 821/4885ALDH1A1 736/4885

“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.