SCHEMBL4178218

SCHEMBL4178218

O=C1COc2ccc(OCCBr)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.52
PARP1 P09874 3/20 0.52
HTR1A P08908 3/20 0.52
ADRB2 P07550 1/20 0.52
SLC6A4 P31645 1/20 0.52
DRD2 P14416 3/20 0.51
HTR2A P28223 2/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
MAPT P10636 5/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR3C2 P08235 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 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
SCHEMBL4187398 0.93 HTR1A (0.53) MMP12PARP1HTR1AADRB2SLC6A4
SCHEMBL4183277 0.92 HTR1A (0.54) MMP12PARP1HTR1AADRB2SLC6A4
SCHEMBL29248122 0.85 HTR1A (0.58) MMP12PARP1HTR1AADRB2SLC6A4
SCHEMBL4187181 0.82 HTR1A (0.58) MMP12PARP1HTR1AADRB2SLC6A4
SCHEMBL13927907 0.81 HTR1A (0.55) MMP12PARP1HTR1AADRB2SLC6A4
Hydrochloric Acid SCHEMBL4193851 0.80 HTR1A (0.54) MMP12PARP1HTR1AADRB2SLC6A4
SCHEMBL7844474 0.80 MMP12 (0.51) MMP12PARP1HTR1AADRB2SLC6A4
SCHEMBL10923933 0.78 MAPT (0.63) MMP12PARP1HTR1ADRD2HTR2A
SCHEMBL5496459 0.78 MAOB (0.61) PARP1DRD2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL705600 0.78 MAPT (0.64) MMP12PARP1DRD2MAPTRXFP1

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 3958/4885PARP1 2169/4885HTR1A 47/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX MMP12 3496/4885PARP1 2752/4885HTR1A 476/4885

“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.