SCHEMBL880346

SCHEMBL880346

O=C1CC(c2ccccc2)c2c(ccc3ccccc23)N1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.80
MAPT P10636 3/20 0.80
POLB P06746 1/20 0.80
SIRT2 Q8IXJ6 1/20 0.71
LMNA P02545 2/20 0.67
SIRT1 Q96EB6 1/20 0.59
ALDH1A1 P00352 2/20 0.55
IDO1 P14902 1/20 0.50
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.43
CYP19A1 P11511 1/20 0.43
AR P10275 1/20 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
SCHEMBL880443 0.89 TP53 (0.76) TP53MAPTPOLBSIRT2LMNA
SCHEMBL14942734 0.85 LMNA (0.68) TP53MAPTPOLBSIRT2LMNA
SCHEMBL880492 0.85 LMNA (0.68) TP53MAPTPOLBSIRT2LMNA
SCHEMBL10280605 0.85 TP53 (0.64) TP53MAPTPOLBSIRT2LMNA
SCHEMBL880433 0.85 TP53 (0.69) TP53MAPTPOLBSIRT2LMNA
SCHEMBL880432 0.82 TP53 (0.69) TP53MAPTPOLBSIRT2LMNA
SCHEMBL880344 0.81 TP53 (0.65) TP53MAPTPOLBSIRT2LMNA
SCHEMBL852442 0.78 LMNA (0.72) TP53MAPTPOLBSIRT2LMNA
SCHEMBL880359 0.76 TP53 (0.71) TP53MAPTPOLBSIRT2LMNA
SCHEMBL15427010 0.74 TP53 (0.67) TP53MAPTPOLBSIRT2LMNA

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 4 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-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 (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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT TP53 1529/4885MAPT 30/4885POLB 3011/4885

“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.