SCHEMBL880294

SCHEMBL880294

O=C1CC(c2ccccc2Cl)c2ccc3c(c2N1)CCC3

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 7/20 0.46
LMNA P02545 4/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 3/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.40
AHR P35869 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL880447 0.85 NPC1 (0.62) TP53ALDH1A1LMNANPC1KDM4E
SCHEMBL880498 0.85 LMNA (0.62) TP53ALDH1A1LMNANPC1KDM4E
SCHEMBL12162803 0.85 NPC1 (0.44) TP53ALDH1A1LMNANPC1KDM4E
SCHEMBL14047396 0.84 LMNA (0.42) TP53ALDH1A1LMNANPC1ALOX15
SCHEMBL880289 0.84 IDO1 (0.58) TP53ALDH1A1LMNANPC1ALOX15
SCHEMBL880489 0.81 LMNA (0.49) TP53ALDH1A1LMNANPC1MAPK1
SCHEMBL880487 0.81 LMNA (0.67) TP53ALDH1A1LMNANPC1MAPK1
SCHEMBL880374 0.78 LMNA (0.64) TP53ALDH1A1LMNANPC1MAPK1
SCHEMBL880371 0.78 LMNA (0.39) TP53ALDH1A1LMNANPC1MAPK1
SCHEMBL10280622 0.77 LMNA (0.59) TP53ALDH1A1LMNANPC1MAPK1

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 3 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
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 TP53 1529/4885ALDH1A1 171/4885LMNA 525/4885

“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.