SCHEMBL880213

SCHEMBL880213

COc1ccc(/C=N/Nc2nc3cc(Cl)ccc3[nH]2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.61
▸ GAA P10253 11/20 0.61
▸ GFER P55789 5/20 0.61
▸ TDP1 Q9NUW8 4/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ POLB P06746 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ HTT P42858 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ TP53 P04637 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 6/20 0.50

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
SCHEMBL23657817 0.84 MAPT (0.58) MAPTGAAGFERTDP1KDM4E
SCHEMBL12682633 0.76 MAPT (1.00) MAPTGAAGFERTDP1KDM4E
SCHEMBL880417 0.73 MAPT (0.83) MAPTGAAGFERTDP1KDM4E
SCHEMBL23906527 0.72 MAPT (0.79) MAPTGAAGFERTDP1KDM4E
SCHEMBL10280285 0.69 MAPT (0.73) MAPTGAAGFERTDP1KDM4E
SCHEMBL880212 0.69 PLA2G10 (0.72) MAPTGAAGFERTDP1KDM4E
SCHEMBL880343 0.69 MAPT (0.42) MAPTGAAGFERTDP1KDM4E
SCHEMBL4151151 0.68 HRH4 (0.47) TDP1POLBHPGDKMT2AMEN1
SCHEMBL16545664 0.67 KMT2A (0.56) MAPTGAATDP1POLBHPGD
Hydrochloric Acid SCHEMBL4159988 0.66 RAB9A (0.48) TDP1POLBHPGDKMT2AMEN1

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 30/4885GAA 62/4885GFER 1390/4885

“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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