SCHEMBL880267

SCHEMBL880267

O=C(O)CC1NC(Nc2nc3ccccc3o2)=NC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GALK1 P51570 12/20 0.44
TAAR1 Q96RJ0 1/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
SCD O00767 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
SCHEMBL15359732 0.88 RAB9A (0.40) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL8977438 0.70 NPC1 (0.56) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL14029256 0.69 RAB9A (0.47) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL14029149 0.68 USP2 (0.52) ALDH1A1GALK1USP2MAPTTDP1
SCHEMBL15022003 0.68 RAB9A (0.78) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2429205 0.67 NPC1 (0.66) RAB9ANPC1SMN1; SMN2GAAALDH1A1
Acetic Acid SCHEMBL7433376 0.67 NPC1 (0.81) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL880379 0.66 RAB9A (0.53) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL31430615 0.66 GAA (0.56) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2437967 0.66 NPC1 (0.54) RAB9ANPC1SMN1; SMN2GAAALDH1A1

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 RAB9A 912/4885NPC1 2064/4885SMN1; SMN2 41/4885

“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.