SCHEMBL880253

SCHEMBL880253

COC(=O)/C=C1/N=C(Nc2nc3ccccc3o2)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
GALK1 P51570 10/20 0.44
RAB9A P51151 5/20 0.43
CYP1A2 P05177 1/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL14029256 0.88 RAB9A (0.47) TDP1MAPTUSP2GALK1RAB9A
SCHEMBL13310305 0.86 MAPT (0.45) TDP1MAPTGALK1RAB9ANPC1
SCHEMBL13310312 0.76 STK10 (0.47) MAPTRAB9ACYP1A2NPC1SMN1; SMN2
SCHEMBL14029149 0.69 USP2 (0.52) TDP1MAPTUSP2GALK1KDM4E
SCHEMBL880379 0.67 RAB9A (0.53) TDP1GALK1RAB9ACYP1A2NPC1
SCHEMBL11195754 0.66 NPC1 (0.70) TDP1MAPTUSP2RAB9ANPC1
SCHEMBL15022003 0.66 RAB9A (0.78) MAPTRAB9ANPC1SMN1; SMN2GAA
Acetic Acid SCHEMBL7433376 0.65 NPC1 (0.81) MAPTUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL2543164 0.65 ELANE (0.55) TDP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL31430618 0.65 NPC1 (0.59) TDP1MAPTUSP2GALK1RAB9A

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
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

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 TDP1 556/4885MAPT 30/4885USP2 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.