SCHEMBL1034401

SCHEMBL1034401

O=C(O)c1cccc2cnc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.52
DGAT1 O75907 1/20 0.47
ATR Q13535 1/20 0.46
PIK3CA P42336 3/20 0.45
PIK3CD O00329 2/20 0.45
TTK P33981 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALKBH1 Q13686 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PLOD2 O00469 2/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
SLC16A3 O15427 1/20 0.42
PIK3C2B O00750 2/20 0.42
PIM1 P11309 1/20 0.42
F10 P00742 1/20 0.42
STK17B O94768 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
SCHEMBL1034592 0.83 F10 (0.49) DGAT1ATRPIK3CAHDAC3HDAC1
SCHEMBL1075055 0.82 KMO (0.51) KMOATRPIK3CAHDAC1TLR9
SCHEMBL1035423 0.82 SMN1; SMN2 (0.50) DGAT1ATRPIK3CAPIK3CDHDAC3
SCHEMBL1030152 0.81 LMNA (0.52) DGAT1ATRF10MTOR
SCHEMBL1032599 0.80 POLQ (0.50) DGAT1ATRF10PKM
SCHEMBL27931159 0.78 MAPT (0.50) KMOATRPIK3CAPIK3CDTLR9
SCHEMBL1035109 0.72 PARP1 (0.54) KMOHDAC1HDAC6PKM
SCHEMBL14961828 0.71 DHFR (0.54) KMOPIK3CAPIK3CDPLOD2PLOD3
SCHEMBL1034174 0.71 KMO (0.49) KMO
SCHEMBL1725504 0.71 KMO (0.51) KMOATRPIK3CATTKPIM1

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-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
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

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 KMO 256/4885DGAT1 1132/4885ATR 1057/4885

“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.