SCHEMBL880414

SCHEMBL880414

Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2C)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.64
MAPT P10636 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 2/20 0.64
NPSR1 Q6W5P4 4/20 0.51
KDM4E B2RXH2 4/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
GRM5 P41594 1/20 0.48
ITK Q08881 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
OPRK1 P41145 1/20 0.46
ADORA1 P30542 1/20 0.45

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
SCHEMBL15359803 0.83 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL880468 0.79 NPSR1 (0.55) MEN1KMT2APOLBNPSR1KDM4E
SCHEMBL880480 0.78 MAPT (1.00) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL880252 0.78 ALDH1A1 (0.62) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL14047319 0.74 ALDH1A1 (0.46) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL20673056 0.74 MAPT (0.71) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL22897113 0.71 MCL1 (0.47) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL6371208 0.69 PYGM (0.65) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL20673020 0.69 MEN1 (0.65) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL20673092 0.69 MEN1 (0.65) SMN1; SMN2MAPTMEN1KMT2APOLB

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-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

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 SMN1; SMN2 41/4885MAPT 30/4885MEN1 4741/4885

“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.