SCHEMBL880371

SCHEMBL880371

O=C1CC(c2ccc(Cl)s2)c2ccc3c(c2N1)CCC3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 5/20 0.34
NPC1 O15118 4/20 0.34
MEN1 O00255 4/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AHR P35869 1/20 0.31

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 0.79 LMNA (0.49) LMNATP53KMT2ANPC1MEN1
SCHEMBL880294 0.78 TP53 (0.47) LMNATP53KMT2ANPC1SMN1; SMN2
SCHEMBL880487 0.76 LMNA (0.67) LMNATP53KMT2ANPC1MEN1
SCHEMBL10280622 0.75 LMNA (0.59) LMNATP53KMT2ANPC1MEN1
SCHEMBL880257 0.75 LMNA (0.59) LMNATP53KMT2ASMN1; SMN2POLB
SCHEMBL15359830 0.74 LMNA (0.41) LMNATP53KMT2ANPC1MEN1
SCHEMBL880374 0.74 LMNA (0.64) LMNATP53KMT2ANPC1MEN1
SCHEMBL12162803 0.73 NPC1 (0.44) LMNATP53KMT2ANPC1MEN1
SCHEMBL880447 0.73 NPC1 (0.62) LMNATP53KMT2ANPC1MEN1
SCHEMBL880498 0.73 LMNA (0.62) LMNATP53KMT2ANPC1MEN1

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 1529/4885KMT2A 1570/4885

“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.