SCHEMBL4178404

SCHEMBL4178404

O=C1COc2ccc(CCCCl)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.65
NR3C2 P08235 3/20 0.58
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
MMP12 P39900 1/20 0.54
DRD4 P21917 5/20 0.51
DRD2 P14416 5/20 0.50
DRD3 P35462 3/20 0.50
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR1A P08908 3/20 0.48
HTR2A P28223 1/20 0.48
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
SLC6A4 P31645 2/20 0.47

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
SCHEMBL4173613 0.96 PARP1 (0.63) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL532022 0.91 PARP1 (0.68) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL11006154 0.90 PARP1 (0.70) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL11004751 0.90 PARP1 (0.70) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL11002313 0.88 PARP1 (0.77) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL21207261 0.86 PARP1 (0.74) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL9244955 0.86 PARP1 (0.65) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL28693938 0.85 PARP1 (0.72) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL13181723 0.84 PARP1 (0.63) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL4257167 0.84 PARP1 (0.70) PARP1NR3C2ALDH1A1MAPTMMP12

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 PARP1 2169/4885NR3C2 712/4885ALDH1A1 313/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX PARP1 2752/4885NR3C2 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.