SCHEMBL4182404

SCHEMBL4182404

O=CCc1cccc2c1OCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
HTR1A P08908 3/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
DRD2 P14416 2/20 0.40
PARP1 P09874 2/20 0.37
IL4I1 Q96RQ9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL426861 0.87 SMYD3 (0.43) SMYD3HTR1AHTR1DHTR1BSLC6A4
SCHEMBL4091137 0.83 PARP1 (0.49) SMYD3HTR1AHTR1DHTR1BSLC6A4
SCHEMBL21419941 0.78 HTR1A (0.43) SMYD3HTR1AHTR1DHTR1BSLC6A4
SCHEMBL29954126 0.78 SMYD3 (0.44) SMYD3HTR1ADRD2PARP1
SCHEMBL5331739 0.78 SMYD3 (0.44) SMYD3HTR1ADRD2PARP1
SCHEMBL3590076 0.77 SMYD3 (0.46) SMYD3HTR1AHTR1DHTR1BSLC6A4
SCHEMBL430221 0.77 HTR1A (0.48) SMYD3HTR1AHTR1DHTR1BSLC6A4
SCHEMBL19386433 0.75 HTR1A (0.46) SMYD3HTR1AHTR1DHTR1BSLC6A4
SCHEMBL428017 0.74 MMP12 (0.40) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL1549777 0.73 HTR1A (0.48) SMYD3HTR1AHTR1DHTR1BSLC6A4

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 SMYD3 4376/4885HTR1A 47/4885HTR1D 75/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX SMYD3 4022/4885HTR1A 476/4885HTR1D 569/4885

“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.