SCHEMBL880477

SCHEMBL880477

O=C1CC(c2ccccc2)c2cccc(-c3ccccc3)c2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
CREBBP Q92793 4/20 0.48
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EEF2K O00418 1/20 0.39
SIRT2 Q8IXJ6 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
SCHEMBL10280719 0.91 TP53 (0.45) BRD4CREBBPLMNASMN1; SMN2MAPT
SCHEMBL14852663 0.81 ALDH1A1 (0.47) CREBBPLMNASMN1; SMN2MAPTHTT
SCHEMBL880452 0.78 CREBBP (0.52) BRD4CREBBPLMNASMN1; SMN2MAPT
SCHEMBL880420 0.77 HSD17B10 (0.59) BRD4CREBBPLMNASMN1; SMN2MAPT
SCHEMBL852442 0.77 LMNA (0.72) LMNASMN1; SMN2MAPTHTTIDO1
SCHEMBL880376 0.74 ALDH1A1 (0.58) BRD4CREBBPLMNASMN1; SMN2MAPT
SCHEMBL7156373 0.74 ALDH1A1 (0.58) BRD4CREBBPLMNASMN1; SMN2MAPT
SCHEMBL12698414 0.74 ALDH1A1 (0.58) BRD4CREBBPLMNASMN1; SMN2MAPT
SCHEMBL880446 0.73 KMT2A (0.48) BRD4CREBBPLMNASMN1; SMN2MAPT
SCHEMBL880287 0.73 SMN1; SMN2 (0.59) LMNASMN1; SMN2MAPTHTTIDO1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
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 BRD4 1019/4885CREBBP 723/4885LMNA 525/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 BRD4 2161/4885CREBBP 216/4885LMNA 3569/4885

“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.