SCHEMBL3561759

SCHEMBL3561759

Brc1ccc2c3c(ccc2c1)OCOc1ccc2cc(Br)ccc2c1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.40
SIRT1 Q96EB6 1/20 0.40
MAOB P27338 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MC4R P32245 1/20 0.38
PPARG P37231 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
AHR P35869 2/20 0.38
ERN1 O75460 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL14870330 0.92 CYP2A6 (0.44) SIRT2SIRT1MAPTKDM4EMEN1
SCHEMBL3568497 0.89 MAPT (0.52) SIRT2SIRT1MAOBLMNAMAPT
SCHEMBL18735948 0.87 MEN1 (0.42) MAOBLMNAMAPTHTTBLM
SCHEMBL29587448 0.87 MEN1 (0.42) MAOBLMNAMAPTHTTBLM
SCHEMBL3565631 0.86 MAPT (0.44) SIRT2SIRT1MAOBLMNAMAPT
SCHEMBL3568948 0.86 MAPT (0.44) SIRT2SIRT1LMNAMAPTHTT
SCHEMBL13568115 0.80 LMNA (0.44) SIRT2SIRT1MAOBLMNAMAPT
SCHEMBL13568204 0.78 MAPT (0.38) SIRT2SIRT1LMNAMAPTHTT
SCHEMBL14548104 0.78 MAPT (0.38) SIRT2SIRT1LMNAMAPTHTT
SCHEMBL24399507 0.77 LMNA (0.41) SIRT2SIRT1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771801-B2 Chiral compounds MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
US-7771801-B2 Chiral compounds MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
EP-1928854-B1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2009-12-16 EP disclosed
US-20080281108-A1 Chiral Compounds MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
US-20080281108-A1 Chiral Compounds MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
WO-2007124383-A2 1,1'-BINAPHTHYL-BASED INHIBITORS OF NAD+-DEPENDENT DEACETYLASE ACTIVITY AND SIR2-FAMILY MEMBERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2007-11-01 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-20080281108-A1 Chiral Compounds LAGE3, DDT, CUTA SIRT2 1231/4885SIRT1 993/4885MAOB 998/4885

“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.