SCHEMBL345563

SCHEMBL345563

NC(=O)Cn1c(=O)ccc2cc(Br)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
KMO O15229 1/20 0.40
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
CBX7 O95931 2/20 0.38
CDYL Q9Y232 2/20 0.38
CDY1; CDY1B Q9Y6F8 2/20 0.38
MCL1 Q07820 1/20 0.38
MAPK9 P45984 1/20 0.38
HPGD P15428 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 3/20 0.36
CDYL2 Q8N8U2 1/20 0.36
NTSR1 P30989 1/20 0.36
TP53 P04637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL3782243 0.86 NAMPT (0.47) NAMPTKMOMCL1HPGDPTGDR2
SCHEMBL29456302 0.82 LMNA (0.41) SCN7AKCNH2CBX7CDYLHPGD
SCHEMBL347208 0.82 MAPT (0.45) KMOSCN7AKCNH2MAPTTP53
SCHEMBL3776134 0.81 NAMPT (0.47) NAMPTMCL1MAPTNTSR1TP53
SCHEMBL3785882 0.79 KDM4E (0.51) NAMPTMAPT
SCHEMBL3782016 0.78 MAPK9 (0.52) MAPK9
SCHEMBL21196908 0.78 SCN7A (0.55) KMOSCN7AKCNH2CDY1; CDY1BMAPK9
SCHEMBL29456267 0.78 MAPK9 (0.52) MAPK9
SCHEMBL29456342 0.77 MAPK9 (0.46) SCN7AKCNH2MAPK9HPGDHTR2A
SCHEMBL14689475 0.76 TSPO (0.54) MAPTTP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015977-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-01-19 US claimed
EP-2387562-A1 Quinolinone derivatives useful for the treatment of cns disorders NeuroSearch A/S (DK) 2011-11-23 EP claimed
WO-2010081900-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 WO claimed
US-20120015977-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-01-19 US disclosed
EP-2387562-A1 Quinolinone derivatives useful for the treatment of cns disorders NeuroSearch A/S (DK) 2011-11-23 EP disclosed
WO-2010081900-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 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 (1 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-20120015977-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS AQP4, PMP22, CHRNA2 NAMPT 1834/4885KMO 767/4885SCN7A 464/4885

“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.