SCHEMBL880232

SCHEMBL880232

O=C1CC(c2ccccc2F)c2ccc3ccccc3c2N1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
LMNA P02545 4/20 0.60
IDO1 P14902 3/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 3/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MTNR1A P48039 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL880355 0.92 HSD17B10 (0.59) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL880307 0.89 IDO1 (0.70) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL10280610 0.85 LMNA (0.59) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL880420 0.84 HSD17B10 (0.59) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL15359680 0.84 HSD17B10 (0.62) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL880297 0.84 LMNA (0.64) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL14047395 0.84 HSD17B10 (0.62) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL880290 0.84 HSD17B10 (0.62) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL10280612 0.84 HSD17B10 (0.62) HSD17B10LMNAIDO1MAPTSMN1; SMN2
SCHEMBL13522427 0.83 HSD17B10 (0.53) HSD17B10LMNAIDO1MAPTSMN1; SMN2

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 10 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
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
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 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
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 HSD17B10 1950/4885LMNA 525/4885IDO1 1042/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 HSD17B10 3617/4885LMNA 3569/4885IDO1 4695/4885

“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.