SCHEMBL880432

SCHEMBL880432

COc1cccc(C2CC(=O)Nc3ccc4ccccc4c32)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.69
LMNA P02545 1/20 0.64
MAPT P10636 3/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 1/20 0.56
SIRT2 Q8IXJ6 2/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
SIRT1 Q96EB6 1/20 0.51
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL14942734 0.84 LMNA (0.68) TP53LMNAMAPTPOLBSIRT2
SCHEMBL14942712 0.84 SMN1; SMN2 (0.64) TP53LMNAMAPTMEN1NPC1
SCHEMBL880346 0.82 TP53 (0.80) TP53LMNAMAPTPOLBSIRT2
SCHEMBL880433 0.82 TP53 (0.69) TP53LMNAMAPTPOLBKMT2A
SCHEMBL880492 0.82 LMNA (0.68) TP53LMNAMAPTPOLBSIRT2
SCHEMBL880441 0.79 MEN1 (0.69) TP53LMNAMAPTMEN1NPC1
SCHEMBL8303883 0.77 DDB1 (0.74) LMNAMAPTMEN1NPC1KMT2A
SCHEMBL880344 0.75 TP53 (0.65) TP53LMNAMAPTPOLBSIRT2
SCHEMBL880443 0.75 TP53 (0.76) TP53LMNAMAPTPOLBMEN1
SCHEMBL880352 0.75 KMT2A (0.73) TP53LMNAPOLBMEN1NPC1

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-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 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 (2 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT TP53 1529/4885LMNA 525/4885MAPT 30/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 TP53 3445/4885LMNA 3569/4885MAPT 640/4885

“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.