SCHEMBL1034587

SCHEMBL1034587

O=C(Nc1nccs1)c1cccc2ccc(-c3ccnc(N4CCC4)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
NPC1 O15118 7/20 0.43
RAB9A P51151 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
COPS5 Q92905 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
SCHEMBL1035051 0.92 LMNA (0.56) LMNAKDM4ESIRT2NPC1RAB9A
SCHEMBL1034439 0.83 SIRT2 (0.50) LMNASIRT2NPC1RAB9AMEN1
SCHEMBL1034198 0.83 NPC1 (0.51) LMNASIRT2NPC1RAB9AMEN1
SCHEMBL1031182 0.81 SIRT2 (0.48) LMNASIRT2NPC1RAB9AMEN1
SCHEMBL12662045 0.80 KDM4E (0.45) LMNAKDM4ENPC1RAB9AMEN1
SCHEMBL1035037 0.80 LMNA (0.53) LMNAKDM4ESIRT2NPC1RAB9A
SCHEMBL1034301 0.80 HPGD (0.60) LMNASIRT2NPC1RAB9AMEN1
SCHEMBL1033853 0.78 NPC1 (0.52) LMNAKDM4ESIRT2NPC1RAB9A
SCHEMBL1034835 0.77 SIRT2 (0.51) LMNASIRT2NPC1RAB9AMEN1
SCHEMBL1031180 0.77 SIRT2 (0.51) LMNASIRT2NPC1RAB9AMEN1

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 9 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
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 CN 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 LMNA 3200/4885KDM4E 1791/4885SIRT2 3/4885

“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.