SCHEMBL1034071

SCHEMBL1034071

O=C(NC1CCOCC1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
MAP4K4 O95819 1/20 0.44
DRD4 P21917 1/20 0.44
GPR52 Q9Y2T5 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PIM1 P11309 2/20 0.42
PARP1 P09874 1/20 0.42
PDE4B Q07343 1/20 0.42
RAB9A P51151 1/20 0.42
CHEK1 O14757 1/20 0.42
CSNK1E P49674 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1035236 0.91 MAPT (0.50) CNR2KDM1AMAOAMAOBMAP4K4
SCHEMBL1032826 0.88 POLB (0.45) KDM1AMAOAMAOBMAP4K4DRD4
SCHEMBL1033396 0.85 HDAC4 (0.46) MAP4K4DRD4HDAC4HDAC6PARP1
SCHEMBL1033395 0.85 HDAC4 (0.46) MAP4K4DRD4HDAC4HDAC6PARP1
SCHEMBL1034785 0.85 SCN7A (0.42) CNR2KDM1AMAP4K4DRD4GPR52
SCHEMBL13626995 0.81 DRD4 (0.47) KDM1AMAOAMAOBMAP4K4DRD4
SCHEMBL12880950 0.81 PARP1 (0.50) DRD4HDAC4HDAC6PARP1MAPT
SCHEMBL12673191 0.81 PARP1 (0.62) GPR52PARP1
SCHEMBL17772313 0.80 DRD4 (0.46) KDM1AMAOAMAOBMAP4K4DRD4
SCHEMBL1032402 0.79 CHRNA7 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CNR2 1901/4885KDM1A 1199/4885MAOA 976/4885

“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.