SCHEMBL880468

SCHEMBL880468

Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2nc3ccccc3n2C)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
ADCY8 P40145 2/20 0.52
ADCY1 Q08828 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
DUSP3 P51452 1/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TRPV1 Q8NER1 1/20 0.46
TSHR P16473 1/20 0.46
NTRK1 P04629 1/20 0.44

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
SCHEMBL880414 0.79 SMN1; SMN2 (0.64) NPSR1GAAALDH1A1KDM4EKMT2A
SCHEMBL880252 0.78 ALDH1A1 (0.62) NPSR1GAAALDH1A1KDM4EKMT2A
SCHEMBL14047319 0.72 ALDH1A1 (0.46) NPSR1GAAALDH1A1KDM4EKMT2A
SCHEMBL880475 0.72 MEN1 (0.54) NPSR1ADCY8ADCY1GAAALDH1A1
SCHEMBL22897113 0.71 MCL1 (0.47) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL21237267 0.70 RAB9A (0.70) NPSR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13522300 0.68 ALDH1A1 (0.88) NPSR1ADCY1GAAALDH1A1KDM4E
SCHEMBL2518227 0.67 GAA (0.71) ADCY8ADCY1GAAALDH1A1KDM4E
SCHEMBL22897112 0.67 RAB9A (0.48) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL880478 0.67 ALDH1A1 (0.84) NPSR1ADCY8ADCY1GAAALDH1A1

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-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
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 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 NPSR1 3790/4885ADCY8 2159/4885ADCY1 1096/4885

“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.