SCHEMBL880289

SCHEMBL880289

O=C1CC(c2cccc3ccccc23)c2ccc3c(c2N1)CCC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
HSD17B10 Q99714 3/20 0.48
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MTNR1A P48039 1/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 3/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
PLA2G6 O60733 1/20 0.37
GMNN O75496 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
SCHEMBL880498 0.84 LMNA (0.62) IDO1HSD17B10LMNASMN1; SMN2NPC1
SCHEMBL880447 0.84 NPC1 (0.62) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL12162803 0.84 NPC1 (0.44) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL880294 0.84 TP53 (0.47) HSD17B10LMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL880307 0.82 IDO1 (0.70) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL14047396 0.81 LMNA (0.42) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL15359830 0.75 LMNA (0.41) HSD17B10LMNASMN1; SMN2MAPTNPC1
SCHEMBL880489 0.75 LMNA (0.49) LMNASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL880230 0.75 KMT2A (0.67) LMNASMN1; SMN2MAPTHTTNPC1
SCHEMBL10280723 0.75 KDM4E (0.56) IDO1LMNASMN1; SMN2MAPTHTT

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 IDO1 1042/4885HSD17B10 1950/4885LMNA 525/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 IDO1 4695/4885HSD17B10 3617/4885LMNA 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.