SCHEMBL880476

SCHEMBL880476

O=C1CC(c2ccc(Cl)cc2)c2cc(Cl)c3ccccc3c2N1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 5/20 0.49
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.41
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 4/20 0.40
POLB P06746 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
SCHEMBL10280721 0.87 LMNA (0.54) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880430 0.82 LMNA (0.67) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880302 0.75 LMNA (0.65) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880444 0.75 TP53 (0.59) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880438 0.74 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL10280719 0.73 TP53 (0.45) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880238 0.73 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880224 0.72 TP53 (0.62) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880435 0.72 MAPT (0.68) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL880496 0.72 LMNA (0.61) LMNAALDH1A1SMN1; SMN2KMT2ATP53

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 5 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

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 LMNA 525/4885ALDH1A1 171/4885SMN1; SMN2 41/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885ALDH1A1 3699/4885SMN1; SMN2 229/4885

“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.