SCHEMBL9605459

SCHEMBL9605459

C(=C/c1cn2ccccc2n1)\c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
MAP4K4 O95819 1/20 0.43
PRKACA P17612 1/20 0.43
CDK8 P49336 1/20 0.43
MAPK14 Q16539 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NPC1 O15118 10/20 0.42
RAB9A P51151 10/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GRM4 Q14833 2/20 0.42
PKM P14618 2/20 0.42

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
SCHEMBL18851551 0.81 HDAC1 (0.49) HDAC1HDAC2PTGS1PTGS2MEN1
SCHEMBL13325904 0.79 RAB9A (0.65) HDAC1PTGS1PTGS2MEN1KMT2A
SCHEMBL871327 0.77 PTGS1 (0.51) HDAC1HDAC2PTGS1PTGS2MEN1
SCHEMBL27899681 0.77 PTGS1 (0.47) HDAC1HDAC2PTGS1PTGS2MEN1
SCHEMBL15033460 0.76 PDE10A (0.55) HDAC1HDAC2PTGS1PTGS2KDM4E
SCHEMBL25395239 0.75 HDAC1 (0.48) HDAC1HDAC2PTGS1PTGS2MEN1
SCHEMBL25395244 0.75 HDAC1 (0.48) HDAC1HDAC2PTGS1PTGS2MEN1
SCHEMBL13325911 0.74 RAB9A (0.63) HDAC1PTGS1PTGS2MEN1KMT2A
SCHEMBL19456997 0.72 PTGS1 (0.47) HDAC1HDAC2PTGS1PTGS2MEN1
SCHEMBL11819851 0.71 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136718-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS Alzeca Biosciences, LLC (US) 2023-05-04 US disclosed
US-20200261605-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS Alzeca Biosciences, LLC 2020-08-20 US disclosed
WO-2020154623-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS Alzeca Biosciences, LLC (US) 2020-07-30 WO disclosed
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-7998974-B2 Fused heterocyclic compounds and their use as sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SITRIS PHARMACEUTICALS, INC. (US) 2009-06-04 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 (5 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-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SIRT1, SIRT3, SIRT2 HDAC1 11/4885HDAC2 16/4885PTGS1 828/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B HDAC1 13/4885HDAC2 43/4885PTGS1 3012/4885
US-20230136718-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS APBA1, LYPLAL1, APOL1 HDAC1 2932/4885HDAC2 4433/4885PTGS1 4022/4885
US-20200261605-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS APBA1, LYPLAL1, APOL1 HDAC1 2932/4885HDAC2 4433/4885PTGS1 4022/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 HDAC1 32/4885HDAC2 44/4885PTGS1 168/4885

“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.