SCHEMBL1032829

SCHEMBL1032829

O=C(Nc1ccccn1)c1cccc2ncc(-c3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA4 P43681 1/20 0.61
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ATR Q13535 1/20 0.53
POLB P06746 2/20 0.52
GLA P06280 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
PARP1 P09874 4/20 0.50
PARP2 Q9UGN5 1/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1031211 0.86 PARP1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1034316 0.84 ALDH1A1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1035340 0.81 CYP2C9 (0.58) ALDH1A1MEN1KMT2AKDM4EATR
SCHEMBL1034400 0.81 LMNA (0.64) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL8703705 0.79 MAPT (0.63) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1034874 0.79 PARP1 (0.62) ALDH1A1KMT2AKDM4ESMN1; SMN2PARP1
SCHEMBL1031026 0.78 ATR (0.57) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL31353202 0.77 PARP1 (0.59) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL7111338 0.77 PARP1 (0.80) ALDH1A1PARP1PARP2
SCHEMBL2353933 0.77 ALDH1A1 (0.81) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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 CHRNB2 2379/4885CHRNB4 3068/4885CHRNA3 2140/4885

“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.