SCHEMBL880489

SCHEMBL880489

O=C1CC(c2ccc(Cl)cc2)c2ccc3c(c2N1)CCC3

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
TP53 P04637 4/20 0.45
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL15359830 0.87 LMNA (0.41) LMNATP53KMT2AMEN1NPC1
SCHEMBL880487 0.86 LMNA (0.67) LMNATP53KMT2AMEN1NPC1
SCHEMBL880374 0.84 LMNA (0.64) LMNATP53KMT2AMEN1NPC1
SCHEMBL880294 0.81 TP53 (0.47) LMNATP53KMT2ANPC1SMN1; SMN2
SCHEMBL880451 0.81 LMNA (0.47) LMNATP53KMT2AMEN1NPC1
SCHEMBL10280622 0.80 LMNA (0.59) LMNATP53KMT2AMEN1NPC1
SCHEMBL880230 0.79 KMT2A (0.67) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL880371 0.79 LMNA (0.39) LMNATP53KMT2AMEN1NPC1
SCHEMBL10280723 0.79 KDM4E (0.56) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL880426 0.79 LMNA (0.49) LMNAKMT2AMEN1NPC1RAB9A

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
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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 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
WO-2007089548-A2 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2007-08-09 WO 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 (2 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
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885TP53 3445/4885KMT2A 4389/4885

“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.