SCHEMBL1783933

SCHEMBL1783933

COc1ccc(NC(=O)CCCC2=C(C)C(=O)C(C)=C(C)C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
HDAC3 O15379 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC4 P56524 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
ALDH1A1 P00352 5/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
CNR1 P21554 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 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
SCHEMBL1656646 0.87 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1658911 0.85 RAB9A (0.58) L3MBTL1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1659448 0.84 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1657687 0.84 NPC1 (0.63) L3MBTL1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1658199 0.84 HDAC1 (0.69) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1658839 0.82 HDAC3 (0.54) L3MBTL1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1656633 0.81 L3MBTL1 (0.60) L3MBTL1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1657676 0.81 POLB (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1785946 0.81 HDAC1 (0.50) L3MBTL1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27291378 0.79 L3MBTL1 (0.96) L3MBTL1HDAC3HDAC1HDAC2HDAC8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US claimed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
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 L3MBTL1 1200/4885HDAC3 2005/4885HDAC1 1835/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 L3MBTL1 1200/4885HDAC3 2005/4885HDAC1 1835/4885

“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.