SCHEMBL880211

SCHEMBL880211

C(=N/Nc1nc2ccccc2[nH]1)\c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 15/20 1.00
▸ MAPT P10636 15/20 1.00
▸ GAA P10253 14/20 1.00
▸ RAB9A P51151 13/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ HTT P42858 6/20 1.00
▸ NPSR1 Q6W5P4 4/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ PKM P14618 2/20 1.00
▸ THRB P10828 1/20 1.00
▸ ALOX12 P18054 1/20 1.00
▸ PLA2G10 O15496 1/20 0.70
▸ MGAM O43451 1/20 0.70
▸ PLA2G2A P14555 1/20 0.70
▸ PLA2G5 P39877 1/20 0.70
▸ PLA2G12A Q9BZM1 1/20 0.70
▸ SMN1; SMN2 Q16637 8/20 0.65
▸ TDP1 Q9NUW8 4/20 0.65
▸ NFKB1 P19838 3/20 0.64

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
SCHEMBL10280286 0.79 MAPT (1.00) NPC1MAPTGAARAB9AMEN1
SCHEMBL880223 0.78 GAA (1.00) NPC1MAPTGAARAB9AMEN1
SCHEMBL23906527 0.74 MAPT (0.79) NPC1MAPTGAARAB9AMEN1
SCHEMBL880473 0.74 MAPT (1.00) NPC1MAPTGAARAB9AMEN1
SCHEMBL15359675 0.73 MAPT (0.76) NPC1MAPTGAARAB9AMEN1
SCHEMBL10280287 0.73 MAPT (0.76) NPC1MAPTGAARAB9AMEN1
SCHEMBL27911751 0.73 NPC1 (0.63) NPC1MAPTGAARAB9AMEN1
SCHEMBL880194 0.72 MAPT (1.00) NPC1MAPTGAARAB9AMEN1
SCHEMBL880195 0.72 GAA (0.75) NPC1MAPTGAARAB9AMEN1
SCHEMBL10280285 0.71 MAPT (0.73) NPC1MAPTGAARAB9AMEN1

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 NPC1 2064/4885MAPT 30/4885GAA 62/4885

“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.

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