SCHEMBL880287

SCHEMBL880287

O=C1CC(c2ccccc2)c2ccc3cc4ccccc4cc3c2N1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 4/20 0.57
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.49
IDO1 P14902 3/20 0.46
TP53 P04637 3/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 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
SCHEMBL852442 0.87 LMNA (0.72) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880281 0.78 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880435 0.78 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880231 0.78 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL13522397 0.78 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL852380 0.78 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL10280618 0.78 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880453 0.78 LMNA (0.54) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL14942712 0.78 SMN1; SMN2 (0.64) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880450 0.77 LMNA (0.66) SMN1; SMN2MAPTHTTLMNAALDH1A1

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 3 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US 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 (1 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 SMN1; SMN2 41/4885MAPT 30/4885HTT 3/4885

“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.