SCHEMBL4176245

SCHEMBL4176245

O=C1COc2ccc(CCCl)c(F)c2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
HTR1D P28221 4/20 0.46
HTR1B P28222 4/20 0.46
SLC6A4 P31645 1/20 0.46
NR3C2 P08235 8/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
ADRB1 P08588 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2B P41595 1/20 0.39
PARP1 P09874 2/20 0.38
MMP12 P39900 1/20 0.37
GRM5 P41594 1/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13157099 0.82 HTR1A (0.45) HTR1AHTR1DHTR1BSLC6A4NR3C2
SCHEMBL13181855 0.82 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4NR3C2
SCHEMBL4095480 0.77 MMP12 (0.44) HTR1AHTR1DHTR1BSLC6A4NR3C2
SCHEMBL13950983 0.76 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4NR3C2
SCHEMBL15053068 0.75 DRD2 (0.43) NR3C2ALDH1A1MAPTADRB1DRD2
SCHEMBL8182873 0.74 NR3C2 (0.42) HTR1AHTR1DHTR1BSLC6A4NR3C2
SCHEMBL14080066 0.74 MMP12 (0.49) HTR1AHTR1DHTR1BSLC6A4NR3C2
Hydrochloric Acid SCHEMBL6831458 0.74 HTR1A (0.49) HTR1AHTR1DHTR1BSLC6A4NR3C2
SCHEMBL13982037 0.71 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4NR3C2
SCHEMBL4176334 0.71 NR3C2 (0.52) HTR1AHTR1DHTR1BSLC6A4NR3C2

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 HTR1A 47/4885HTR1D 75/4885HTR1B 39/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885HTR1D 569/4885HTR1B 252/4885

“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.