SCHEMBL880407

SCHEMBL880407

N#Cc1ccc(/C=C/C(=O)c2cccs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.68
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
TP53 P04637 8/20 0.68
ALDH1A1 P00352 8/20 0.68
MAPK1 P28482 5/20 0.68
CYP3A4 P08684 5/20 0.68
KDM4E B2RXH2 5/20 0.68
HPGD P15428 5/20 0.68
HSD17B10 Q99714 5/20 0.68
GAA P10253 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
ALOX15 P16050 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.67
NPC1 O15118 1/20 0.67
NFKB1 P19838 1/20 0.67
RAB9A P51151 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
RAF1 P04049 1/20 0.67

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
SCHEMBL9420982 0.81 MAPT (1.00) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL861728 0.81 MAPT (1.00) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL861729 0.81 MAPT (1.00) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL12162614 0.80 MAPT (1.00) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL16296742 0.80 MAPT (0.74) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL1566918 0.80 MAPT (0.74) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL1566916 0.80 MAPT (0.74) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL6328299 0.80 MAPT (0.74) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL16296740 0.80 MAPT (0.74) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL9357670 0.80 MAPT (0.74) MAPTMEN1KMT2ATP53ALDH1A1

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
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
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 MAPT 30/4885MEN1 4741/4885KMT2A 1570/4885

“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.