SCHEMBL880451

SCHEMBL880451

O=C1CC(c2ccc(Cl)cc2)c2c(ccc3c2CCC3)N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TP53 P04637 5/20 0.46
MAPT P10636 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
AHR P35869 2/20 0.40
CMA1 P23946 1/20 0.40
RAB9A P51151 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL880489 0.81 LMNA (0.49) LMNATP53MAPTPARP1MEN1
SCHEMBL10280292 0.77 LMNA (0.75) LMNATP53MAPTMEN1KMT2A
SCHEMBL880443 0.72 TP53 (0.76) LMNATP53MAPTSIRT1POLB
SCHEMBL9864707 0.70 CYP19A1 (0.68) LMNATP53MAPTPOLBMEN1
SCHEMBL880444 0.69 TP53 (0.59) LMNATP53MAPTPOLBMEN1
SCHEMBL880285 0.68 BRD4 (0.47) LMNATP53MAPTSIRT1POLB
SCHEMBL880487 0.68 LMNA (0.67) LMNATP53MAPTPOLBMEN1
SCHEMBL15359830 0.68 LMNA (0.41) LMNATP53MAPTPARP1MEN1
SCHEMBL21886107 0.67 TP53 (0.50) LMNATP53MAPTPOLBMEN1
SCHEMBL9405611 0.67 AHR (0.66) LMNAMAPTPARP1MEN1KMT2A

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 LMNA 525/4885TP53 1529/4885MAPT 30/4885

“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.