SCHEMBL880223

SCHEMBL880223

C(=N/Nc1nc2ccccc2[nH]1)\c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 17/20 1.00
▸ MAPT P10636 17/20 1.00
▸ NPC1 O15118 13/20 1.00
▸ RAB9A P51151 13/20 1.00
▸ KMT2A Q03164 10/20 0.81
▸ MEN1 O00255 9/20 0.81
▸ SMN1; SMN2 Q16637 6/20 0.81
▸ HTT P42858 7/20 0.65
▸ NPSR1 Q6W5P4 5/20 0.65
▸ PKM P14618 2/20 0.65
▸ TDP1 Q9NUW8 5/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ TP53 P04637 2/20 0.62
▸ GFER P55789 2/20 0.60

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 0.90 MAPT (1.00) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL880195 0.85 GAA (0.75) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL23906527 0.84 MAPT (0.79) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL880461 0.81 MAPT (0.76) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL10280285 0.81 MAPT (0.73) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL10280287 0.81 MAPT (0.76) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL15359675 0.81 MAPT (0.76) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL880473 0.79 MAPT (1.00) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL14942678 0.78 MAPT (0.68) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL880211 0.78 NPC1 (1.00) GAAMAPTNPC1RAB9AKMT2A

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 7 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
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 — — 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 (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 GAA 62/4885MAPT 30/4885NPC1 2064/4885
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 GAA 98/4885MAPT 2982/4885NPC1 764/4885

“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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