SCHEMBL880443

SCHEMBL880443

O=C1CC(c2ccc(Cl)cc2)c2c(ccc3ccccc23)N1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.76
MAPT P10636 2/20 0.76
POLB P06746 1/20 0.76
LMNA P02545 3/20 0.59
SIRT2 Q8IXJ6 1/20 0.58
SIRT1 Q96EB6 1/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AR P10275 2/20 0.46
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL880346 0.89 TP53 (0.80) TP53MAPTPOLBLMNASIRT2
SCHEMBL880433 0.86 TP53 (0.69) TP53MAPTPOLBLMNASIRT2
SCHEMBL880359 0.82 TP53 (0.71) TP53MAPTPOLBLMNASIRT2
SCHEMBL880430 0.80 LMNA (0.67) TP53MAPTPOLBLMNAALDH1A1
SCHEMBL880344 0.79 TP53 (0.65) TP53MAPTPOLBLMNASIRT2
SCHEMBL14942734 0.78 LMNA (0.68) TP53MAPTPOLBLMNASIRT2
SCHEMBL10280605 0.78 TP53 (0.64) TP53MAPTPOLBLMNASIRT2
SCHEMBL880492 0.78 LMNA (0.68) TP53MAPTPOLBLMNASIRT2
SCHEMBL880444 0.76 TP53 (0.59) TP53MAPTPOLBLMNAALDH1A1
SCHEMBL880432 0.75 TP53 (0.69) TP53MAPTPOLBLMNASIRT2

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-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
WO-2007089548-A2 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2007-08-09 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 (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 1529/4885MAPT 30/4885POLB 3011/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 TP53 3445/4885MAPT 640/4885POLB 3957/4885

“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.