SCHEMBL4178083

SCHEMBL4178083

O=C(O)N1CCN(c2cccc3nc(-c4ccccc4)ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NCF1 P14598 2/20 0.47
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
SLC6A4 P31645 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
RCE1 Q9Y256 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4178112 0.81 NCF1 (0.59) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL4171704 0.80 HTR6 (0.56) KDM4EL3MBTL1NCF1HTR1AHTR1D
SCHEMBL5234760 0.77 USP2 (0.56) KDM4ENCF1HTR1AHTR1DHTR1B
SCHEMBL900155 0.73 NCF1 (0.82) KDM4ENCF1TSHRMAPK1MEN1
SCHEMBL5238054 0.72 HTR1A (0.57) KDM4EHTR1ATSHRMEN1KMT2A
SCHEMBL2225622 0.71 HCAR2 (0.65) TSHRALDH1A1
SCHEMBL28207469 0.70 NPC1 (0.74) KDM4EGAANPC1RAB9ATSHR
SCHEMBL28206906 0.70 TRPV1 (0.69) KDM4EGAANPC1RAB9ATSHR
SCHEMBL28857666 0.69 TRPV1 (0.71) KDM4EGAANPC1RAB9ATSHR
SCHEMBL9225854 0.69 KDM4E (0.68) KDM4ENPC1RAB9AMEN1KMT2A

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 1114/4885L3MBTL1 3135/4885GAA 758/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX KDM4E 1105/4885L3MBTL1 3197/4885GAA 702/4885

“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.