SCHEMBL880461

SCHEMBL880461

CN(C)c1ccc(/C=N\Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 0.76
▸ RAB9A P51151 11/20 0.76
▸ MEN1 O00255 9/20 0.76
▸ KMT2A Q03164 9/20 0.76
▸ ALDH1A1 P00352 6/20 0.76
▸ SMN1; SMN2 Q16637 5/20 0.76
▸ HPGD P15428 5/20 0.76
▸ TDP1 Q9NUW8 5/20 0.76
▸ KDM4E B2RXH2 5/20 0.76
▸ HTT P42858 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ NPSR1 Q6W5P4 2/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ GAA P10253 16/20 0.73
▸ NPC1 O15118 11/20 0.73
▸ TP53 P04637 2/20 0.64
▸ POLB P06746 2/20 0.59
▸ GFER P55789 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59

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 0.85 MAPT (1.00) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL23906527 0.83 MAPT (0.79) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL10280285 0.82 MAPT (0.73) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL880223 0.81 GAA (1.00) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL14942678 0.79 MAPT (0.68) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL10280287 0.79 MAPT (0.76) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL15359675 0.79 MAPT (0.76) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL880195 0.75 GAA (0.75) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL880217 0.75 FAAH (0.66) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL880212 0.74 PLA2G10 (0.72) MAPTRAB9AMEN1KMT2AALDH1A1

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 MAPT 30/4885RAB9A 912/4885MEN1 4741/4885

“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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