SCHEMBL880463

SCHEMBL880463

O=C(O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 10/20 0.74
▸ NPC1 O15118 10/20 0.74
▸ RAB9A P51151 9/20 0.74
▸ MEN1 O00255 8/20 0.74
▸ KMT2A Q03164 8/20 0.74
▸ SMN1; SMN2 Q16637 5/20 0.74
▸ NPSR1 Q6W5P4 3/20 0.74
▸ THRB P10828 2/20 0.74
▸ HPGD P15428 2/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ MAPT P10636 10/20 0.62
▸ KDM4E B2RXH2 7/20 0.62
▸ TDP1 Q9NUW8 4/20 0.62
▸ LMNA P02545 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ POLB P06746 3/20 0.60
▸ RECQL P46063 2/20 0.60
▸ KEAP1 Q14145 1/20 0.56
▸ NFE2L2 Q16236 1/20 0.56
▸ PHGDH O43175 2/20 0.51

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
SCHEMBL15359676 1.00 GAA (0.74) GAANPC1RAB9AMEN1KMT2A
SCHEMBL12717686 0.76 GAA (0.61) GAANPC1RAB9AMEN1KMT2A
SCHEMBL12351248 0.75 MAPT (1.00) GAANPC1RAB9AMEN1KMT2A
SCHEMBL7035502 0.74 KDM4E (0.71) GAANPC1RAB9AMEN1KMT2A
SCHEMBL10280286 0.73 MAPT (1.00) GAANPC1RAB9AMEN1KMT2A
SCHEMBL28373071 0.70 KEAP1 (0.79) GAANPC1RAB9AMEN1KMT2A
SCHEMBL28373067 0.70 KEAP1 (0.79) GAANPC1RAB9AMEN1KMT2A
SCHEMBL28369101 0.69 KEAP1 (0.87) GAANPC1MEN1KMT2AHPGD
SCHEMBL28369102 0.69 KEAP1 (0.87) GAANPC1MEN1KMT2AHPGD
SCHEMBL6419258 0.69 PHGDH (0.57) GAANPC1RAB9AMEN1KMT2A

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 5 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
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 62/4885NPC1 2064/4885RAB9A 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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