SCHEMBL880252

SCHEMBL880252

Cc1cc(NC(=O)C2CC2)n(-c2nc3ccccc3n2C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
NPSR1 Q6W5P4 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 4/20 0.57
HTT P42858 4/20 0.57
LMNA P02545 4/20 0.57
GAA P10253 1/20 0.57
NTRK1 P04629 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43
EPHX2 P34913 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
TP53 P04637 2/20 0.42

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
SCHEMBL14047319 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL880468 0.78 NPSR1 (0.55) ALDH1A1NPSR1LMNAGAANTRK1
SCHEMBL880414 0.78 SMN1; SMN2 (0.64) ALDH1A1NPSR1MAPTHTTLMNA
SCHEMBL880258 0.77 NPSR1 (0.92) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL22897113 0.73 MCL1 (0.47) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL21694883 0.71 SMN1; SMN2 (0.73) ALDH1A1CYP3A4CYP2C19MAPTLMNA
SCHEMBL12162587 0.70 ALDH1A1 (0.53) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL6882044 0.70 ALDH1A1 (0.53) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL22897112 0.69 RAB9A (0.48) ALDH1A1GAASMN1; SMN2HPGDMEN1
SCHEMBL20657963 0.68 ALDH1A1 (0.60) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9

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 ALDH1A1 171/4885NPSR1 3790/4885CYP1A2 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.