SCHEMBL880238

SCHEMBL880238

O=C1CC(c2ccc(F)c(Br)c2)c2cc(Br)c3ccccc3c2N1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCC9 O60706 6/20 0.41
ABCC8 Q09428 6/20 0.41
KCNJ11 Q14654 6/20 0.41
KCNJ8 Q15842 6/20 0.41
IDO1 P14902 3/20 0.40
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL10280611 0.86 MAPT (0.60) ALDH1A1MAPK1ALOX15LMNASMN1; SMN2
SCHEMBL15077972 0.77 NPC1 (0.43) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL6855803 0.76 LMNA (0.54) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL880248 0.75 MAPT (0.64) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL14047471 0.74 LMNA (0.67) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL880216 0.73 TP53 (0.60) ALDH1A1MAPK1ALOX15LMNASMN1; SMN2
SCHEMBL880476 0.73 LMNA (0.52) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL10280721 0.71 LMNA (0.54) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL880249 0.70 MAPT (0.58) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL13522397 0.68 MAPT (0.68) ALDH1A1MAPK1ALOX15LMNASMN1; 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 ALDH1A1 171/4885MAPK1 2847/4885ALOX15 3633/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 ALDH1A1 3699/4885MAPK1 1965/4885ALOX15 4357/4885

“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.