SCHEMBL880248

SCHEMBL880248

O=C1CC(c2ccc(F)c(F)c2)c2ccc3ccccc3c2N1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
LMNA P02545 4/20 0.63
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 1/20 0.63
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HSD17B10 Q99714 1/20 0.57
IDO1 P14902 3/20 0.48
TP53 P04637 4/20 0.46
POLB P06746 1/20 0.44
PKM P14618 1/20 0.39

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
SCHEMBL14047471 0.90 LMNA (0.67) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL10280611 0.90 MAPT (0.60) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880249 0.88 MAPT (0.58) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880281 0.86 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880450 0.86 LMNA (0.66) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880438 0.84 LMNA (0.74) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880435 0.84 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880430 0.84 LMNA (0.67) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL852442 0.83 LMNA (0.72) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880302 0.82 LMNA (0.65) MAPTSMN1; SMN2HTTLMNAALDH1A1

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 6 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-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 MAPT 30/4885SMN1; SMN2 41/4885HTT 3/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 MAPT 640/4885SMN1; SMN2 229/4885HTT 207/4885

“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.