SCHEMBL4698452

SCHEMBL4698452

Sc1cnc2c(Cl)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 3/20 0.44
COPS5 Q92905 3/20 0.44
NR4A2 P43354 2/20 0.39
CCR1 P32246 2/20 0.38
CCR8 P51685 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 1/20 0.37
NOS1 P29475 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
AHR P35869 1/20 0.34
LMNA P02545 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CCR5 P51681 1/20 0.33
PARP1 P09874 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
SCHEMBL14045321 0.77 PSMD14 (0.44) PSMD14COPS5CCR1CCR8KDM4E
SCHEMBL3064498 0.77 NR4A2 (0.46) PSMD14COPS5NR4A2CCR1CCR8
SCHEMBL4698412 0.77 PSMD14 (0.39) PSMD14COPS5NR4A2CCR1CCR8
SCHEMBL27418389 0.77 NR4A2 (0.38) PSMD14COPS5NR4A2CCR1CCR8
SCHEMBL6422325 0.77 PSMD14 (0.62) PSMD14COPS5NR4A2CCR1CCR8
SCHEMBL5558125 0.77 NR4A2 (0.38) PSMD14COPS5NR4A2CCR1CCR8
SCHEMBL3204532 0.77 NR4A2 (0.38) PSMD14COPS5NR4A2CCR1CCR8
SCHEMBL29377991 0.74 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9ACYP2A6
SCHEMBL28081897 0.74 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9ACYP2A6
SCHEMBL22333784 0.73 CCR1 (0.62) PSMD14COPS5CCR1CCR8L3MBTL1

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
EP-1660483-B1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-12-24 EP disclosed
US-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
EP-1660483-A1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005021530-A1 8- (1-PIPERAZINYL)- QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-03-10 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-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders PMP22, AQP4, SLC18A2 PSMD14 4305/4885COPS5 1983/4885NR4A2 999/4885

“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.