SCHEMBL880309

SCHEMBL880309

Bc1cccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.71
ALDH1A1 P00352 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 8/20 0.66
TP53 P04637 5/20 0.66
MAPT P10636 3/20 0.66
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
THRB P10828 1/20 0.55
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.53
ALOX15 P16050 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL10090752 0.86 LMNA (0.76) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL880439 0.85 LMNA (0.71) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL19286329 0.85 LMNA (0.71) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL880292 0.85 LMNA (0.71) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL10280720 0.79 KMT2A (0.74) LMNAL3MBTL1SMN1; SMN2TP53MAPT
SCHEMBL880284 0.79 TP53 (0.85) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL10090742 0.78 TP53 (0.76) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL880278 0.76 SMN1; SMN2 (0.73) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL21667414 0.75 SMN1; SMN2 (0.65) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL10280606 0.75 SMN1; SMN2 (0.65) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 525/4885ALDH1A1 171/4885L3MBTL1 244/4885

“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.