SCHEMBL4169028

SCHEMBL4169028

Cc1ccc2c(OS(=O)(=O)C(F)(F)F)ccc(Cl)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4B Q07343 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR4 O95977 1/20 0.33
NR4A2 P43354 1/20 0.33
RORC P51449 3/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ADORA1 P30542 2/20 0.31

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
SCHEMBL2880729 0.85 CYBB (0.33) KDM4EHTTPKMPDE4APDE4C
SCHEMBL1025662 0.78 CCR1 (0.39) KDM4EHTTPKMMAPTPDE4A
SCHEMBL4061114 0.76 S1PR4 (0.39) KDM4EKMT2AS1PR4HTR1D
SCHEMBL431316 0.76 ALDH1A1 (0.43) KMT2AALDH1A1HTR1AHTR1DHTR1B
SCHEMBL4176630 0.75 PDE4A (0.47) KDM4EHTTPKMMAPTPDE4A
SCHEMBL6633594 0.74 CA1 (0.36) ADORA1ADORA2A
SCHEMBL18188355 0.74 S1PR4 (0.38) KDM4EMAPTGAAKMT2AS1PR4
SCHEMBL4763732 0.74 GLO1 (0.38) KDM4EHTTPKMMAPTPDE4A
SCHEMBL3580521 0.73 MEN1 (0.48) KDM4EHTTKMT2ABDKRB2
SCHEMBL23166109 0.73 EPAS1 (0.41) KDM4EALDH1A1

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 KDM4E 1114/4885HTT 1482/4885PKM 610/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX KDM4E 1105/4885HTT 1138/4885PKM 653/4885

“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.