SCHEMBL880349

SCHEMBL880349

COc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 15/20 1.00
▸ MAPT P10636 15/20 1.00
▸ RAB9A P51151 10/20 1.00
▸ NPC1 O15118 9/20 1.00
▸ KDM4E B2RXH2 6/20 0.85
▸ TDP1 Q9NUW8 5/20 0.85
▸ GFER P55789 4/20 0.85
▸ L3MBTL1 Q9Y468 2/20 0.85
▸ KMT2A Q03164 8/20 0.78
▸ HTT P42858 4/20 0.78
▸ KDM4C Q9H3R0 1/20 0.78
▸ MEN1 O00255 6/20 0.70
▸ POLB P06746 3/20 0.70
▸ HPGD P15428 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ NPSR1 Q6W5P4 2/20 0.62

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
SCHEMBL880193 0.83 GAA (0.71) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL12162618 0.78 GAA (0.69) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL10280285 0.76 MAPT (0.73) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL880212 0.75 PLA2G10 (0.72) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL12682633 0.75 MAPT (1.00) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL10280286 0.73 MAPT (1.00) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL880194 0.72 MAPT (1.00) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL13568267 0.71 RAB9A (0.82) GAAMAPTRAB9ANPC1TDP1
SCHEMBL24348209 0.70 MAPT (0.59) GAAMAPTRAB9ANPC1KDM4E
SCHEMBL880223 0.70 GAA (1.00) GAAMAPTRAB9ANPC1KDM4E

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-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 — — 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-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
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 GAA 62/4885MAPT 30/4885RAB9A 912/4885

“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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