SCHEMBL880446

SCHEMBL880446

O=C1CC(c2ccccc2)c2ccc(-c3ccccc3)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.47
GAA P10253 2/20 0.46
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL10280613 0.91 TP53 (0.57) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL10280718 0.90 LMNA (0.63) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL7156373 0.81 ALDH1A1 (0.58) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL12698414 0.81 ALDH1A1 (0.58) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL880376 0.81 ALDH1A1 (0.58) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL880483 0.80 LMNA (0.62) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL880275 0.80 TP53 (0.57) KMT2ALMNAMEN1GAASIRT2
SCHEMBL880353 0.79 KMT2A (0.63) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL10090707 0.75 KMT2A (0.74) KMT2ALMNAMEN1NPC1TDP1
SCHEMBL880452 0.75 CREBBP (0.52) LMNABRD4CREBBPSIRT2TSHR

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 KMT2A 1570/4885LMNA 525/4885MEN1 4741/4885

“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.