SCHEMBL880453

SCHEMBL880453

O=C1CC(c2ccccc2)c2ccc3cnccc3c2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.41
IDO1 P14902 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35

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
SCHEMBL10280365 0.85 LMNA (0.66) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL852442 0.84 LMNA (0.72) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL880445 0.84 LMNA (0.62) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL880287 0.78 SMN1; SMN2 (0.59) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL880419 0.76 LMNA (0.49) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL852380 0.75 MAPT (0.68) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL880430 0.74 LMNA (0.67) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL880450 0.74 LMNA (0.66) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL880388 0.74 LMNA (0.66) LMNASMN1; SMN2MAPTHTTHSD17B10
SCHEMBL13522397 0.72 MAPT (0.68) LMNASMN1; SMN2MAPTHTTHSD17B10

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 LMNA 525/4885SMN1; SMN2 41/4885MAPT 30/4885

“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.