SCHEMBL880408

SCHEMBL880408

COC(=O)Cc1cc(=O)nc(Nc2nc3ccccc3o2)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
TDP1 Q9NUW8 4/20 0.71
USP2 O75604 2/20 0.71
SMN1; SMN2 Q16637 9/20 0.57
NPC1 O15118 8/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HIF1A Q16665 2/20 0.57
GAA P10253 2/20 0.57
RAB9A P51151 9/20 0.46
TP53 P04637 4/20 0.46
OPRK1 P41145 3/20 0.46
ALDH1A1 P00352 4/20 0.43
PKM P14618 4/20 0.43
AGTR1 P30556 2/20 0.43
MDM2 Q00987 1/20 0.43
ALOX15 P16050 2/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL15359835 0.91 MAPT (0.58) MAPTTDP1USP2SMN1; SMN2NPC1
SCHEMBL880269 0.86 NPC1 (0.69) MAPTTDP1USP2SMN1; SMN2NPC1
SCHEMBL15840696 0.76 MAPT (0.58) MAPTTDP1USP2SMN1; SMN2NPC1
SCHEMBL2543034 0.70 NPC1 (0.54) MAPTTDP1USP2SMN1; SMN2NPC1
SCHEMBL5624696 0.70 MAPT (0.54) MAPTTDP1USP2SMN1; SMN2NPC1
SCHEMBL14942692 0.68 USP2 (0.45) MAPTTDP1USP2SMN1; SMN2LMNA
SCHEMBL14029149 0.68 USP2 (0.52) MAPTTDP1USP2LMNAKDM4E
SCHEMBL13310315 0.68 MAPK1 (0.54) MAPTTDP1USP2SMN1; SMN2NPC1
SCHEMBL2541747 0.68 NPC1 (0.52) MAPTTDP1USP2SMN1; SMN2NPC1
SCHEMBL2438782 0.68 NPC1 (0.51) MAPTTDP1USP2SMN1; SMN2NPC1

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
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
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 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
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 MAPT 30/4885TDP1 556/4885USP2 2557/4885

“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.