SCHEMBL4206183

SCHEMBL4206183

O=[N+]([O-])c1ccc(C=CC2=CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 4/20 0.50
APP P05067 1/20 0.50
FBP1 P09467 1/20 0.49
PTGS2 P35354 6/20 0.47
PTGS1 P23219 2/20 0.47
CYP19A1 P11511 2/20 0.47
MEN1 O00255 1/20 0.43
GALK1 P51570 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.40
MAOB P27338 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
SCHEMBL4206179 1.00 MAPT (0.50) MAPTRAB9ANPC1APPFBP1
SCHEMBL458177 0.77 APP (0.78) MAPTRAB9ANPC1APPFBP1
SCHEMBL9170804 0.77 APP (0.78) MAPTRAB9ANPC1APPFBP1
SCHEMBL9170800 0.77 APP (0.78) MAPTRAB9ANPC1APPFBP1
SCHEMBL458178 0.77 APP (0.78) MAPTRAB9ANPC1APPFBP1
SCHEMBL14947048 0.77 APP (0.78) MAPTRAB9ANPC1APPFBP1
SCHEMBL6047849 0.74 NPC1 (0.42) RAB9ANPC1CYP19A1MEN1KMT2A
SCHEMBL9647725 0.73 KDM1A (0.34)
SCHEMBL9647720 0.73 KDM1A (0.34)
SCHEMBL11375977 0.72 APP (0.69) MAPTRAB9ANPC1APPFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844157-A2 STRATEGIES FOR DESIGNING DRUGS THAT TARGET THE SIR2 FAMILY OF ENZYMES The Johns Hopkins University (US) 2007-10-17 EP claimed
WO-2006081329-A2 STRATEGIES FOR DESIGNING DRUGS THAT TARGET THE SIR2 FAMILY OF ENZYMES THE JOHNS HOPKINS UNIVERSITY (US) 2006-08-03 WO claimed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 US claimed
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
EP-2670404-B1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS UNIV PRINCETON (US) 2018-08-29 EP disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 US disclosed
US-20130338178-A1 SIRTUIN MODULATORS AS INHIBITORS OF CYTOMEGALOVIRUS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-12-19 US disclosed
EP-2670404-A1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS The Trustees of Princeton University (US) 2013-12-11 EP disclosed
WO-2012106509-A1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-08-09 WO disclosed
US-20090012130-A1 Strategies for Designing Drugs that Target the Sir2 Family of Enzymes THE JOHNS HOPKINS UNIVERSITY (US) 2009-01-08 US disclosed
EP-1844157-A2 STRATEGIES FOR DESIGNING DRUGS THAT TARGET THE SIR2 FAMILY OF ENZYMES The Johns Hopkins University (US) 2007-10-17 EP disclosed
WO-2006081329-A2 STRATEGIES FOR DESIGNING DRUGS THAT TARGET THE SIR2 FAMILY OF ENZYMES THE JOHNS HOPKINS UNIVERSITY (US) 2006-08-03 WO disclosed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 US 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 (4 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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 MAPT 2621/4885RAB9A 3558/4885NPC1 2730/4885
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 MAPT 2621/4885RAB9A 3558/4885NPC1 2730/4885
US-20130338178-A1 SIRTUIN MODULATORS AS INHIBITORS OF CYTOMEGALOVIRUS SIRT1, SIRT2, SIRT7 MAPT 2621/4885RAB9A 3558/4885NPC1 2730/4885
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins SIRT1, SIRT7, SIRT5 MAPT 3039/4885RAB9A 3172/4885NPC1 1838/4885

“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.