SCHEMBL880258

SCHEMBL880258

Cc1cc(NC(=O)C2CC2)n(-c2nc3ccccc3[nH]2)n1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.92
ALDH1A1 P00352 7/20 0.92
CYP1A2 P05177 2/20 0.92
CYP3A4 P08684 2/20 0.92
CYP2C9 P11712 2/20 0.92
CYP2C19 P33261 2/20 0.92
MAPT P10636 11/20 0.90
HTT P42858 6/20 0.90
LMNA P02545 4/20 0.90
GAA P10253 2/20 0.90
SMN1; SMN2 Q16637 6/20 0.70
TSHR P16473 2/20 0.70
HSD17B10 Q99714 1/20 0.70
KDM4E B2RXH2 5/20 0.70
TDP1 Q9NUW8 7/20 0.68
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
HPGD P15428 3/20 0.65
POLB P06746 2/20 0.65
CYP2D6 P10635 1/20 0.65

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
SCHEMBL880413 0.85 ALDH1A1 (0.77) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14047320 0.83 NPSR1 (0.68) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL10280604 0.81 TDP1 (1.00) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL10280642 0.81 ALDH1A1 (0.70) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13522300 0.80 ALDH1A1 (0.88) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL880412 0.79 ALDH1A1 (0.84) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL880478 0.79 ALDH1A1 (0.84) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20657963 0.79 ALDH1A1 (0.60) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL880480 0.78 MAPT (1.00) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL880481 0.77 KDM4E (0.81) NPSR1ALDH1A1CYP1A2CYP3A4CYP2C9

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 3790/4885ALDH1A1 171/4885CYP1A2 2530/4885

“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.