Sugi Predict

Sugi Predict / Compounds / SCHEMBL1785127

SCHEMBL1785127

SCHEMBL1785127

CC1=CC(=O)C(CCCC(N)=O)=C(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ USP2 O75604 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX5 P09917 13/20 0.31

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
SCHEMBL1658812 0.77 ALOX15 (0.41) IDO1MAPTMAPK1ALDH1A1THRB
SCHEMBL1784465 0.72 MAPT (0.54) IDO1MAPTMAPK1ALDH1A1THRB
SCHEMBL1786222 0.72 MAPT (0.54) IDO1MAPTMAPK1ALDH1A1THRB
SCHEMBL28664823 0.70 MAOB (0.33) IDO1MAPTMAPK1MEN1USP2
SCHEMBL19026793 0.68 ALOX15 (0.51) STAT3MAPTMAPK1ALDH1A1THRB
SCHEMBL1786492 0.67 MAPT (0.47) IDO1MAPTMAPK1ALDH1A1THRB
SCHEMBL9027595 0.65 MEN1 (0.34) IDO1MAPTMAPK1MEN1USP2
SCHEMBL10000759 0.62 ALDH1A1 (0.41) IDO1STAT3MAPTMAPK1MEN1
SCHEMBL8138381 0.62 MEN1 (0.34) IDO1STAT3MAPTMAPK1MEN1
SCHEMBL16067271 0.62 ALOX15 (0.41) MAPTMAPK1ALDH1A1CYP2D6CYP2C9

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-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 — — US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 — — US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 — — EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 — — WO 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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 IDO1 2145/4885STAT3 3124/4885MAPT 616/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 IDO1 2145/4885STAT3 3124/4885MAPT 616/4885

“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.