SCHEMBL1033993

SCHEMBL1033993

O=C(NC1CCCC1)c1cccc2ccc(-c3cccc(OC4CCNCC4)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
MAP4K4 O95819 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP1 P09874 1/20 0.41
NPC1 O15118 4/20 0.40
MAPT P10636 3/20 0.40
MLLT3 P42568 1/20 0.40
MLLT1 Q03111 1/20 0.40
RAB9A P51151 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1035375 0.95 CNR2 (0.41) CNR2MAP4K4GAASMN1; SMN2KMT2A
SCHEMBL1035374 0.95 CNR2 (0.41) CNR2MAP4K4GAASMN1; SMN2KMT2A
SCHEMBL12880985 0.82 PARP1 (0.48) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL1035721 0.81 DYRK1A (0.50) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL1034760 0.81 SIRT2 (0.47) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL1031396 0.81 CHRNB2 (0.44)
SCHEMBL1034153 0.80 PRKCZ (0.45) PARP1
SCHEMBL1034151 0.80 PRKCZ (0.45) PARP1
SCHEMBL1030839 0.80 HTT (0.46) SMN1; SMN2KMT2AALDH1A1LMNAKDM4E
SCHEMBL1033193 0.80 DYRK1A (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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 1901/4885MAP4K4 1524/4885GAA 766/4885

“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.