SCHEMBL1783169

SCHEMBL1783169

COc1c(C)c(C)c(OC)c(CCN)c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
TAAR1 Q96RJ0 6/20 0.41
CYP1A2 P05177 1/20 0.36
HTR1D P28221 2/20 0.34
HTR6 P50406 1/20 0.34
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
MAOB P27338 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 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
Ammonia Solution, Strong SCHEMBL1785081 0.98 HTR2A (0.44) HTR2AHTR2CHTR2BTAAR1CYP1A2
SCHEMBL16067266 0.89 HTR2A (0.37) HTR2AHTR2CHTR2BTAAR1CYP1A2
SCHEMBL10405923 0.77 IMPDH2 (0.33) IMPDH2IMPDH1
SCHEMBL8563125 0.77 IMPDH2 (0.49) IMPDH2IMPDH1
SCHEMBL1820953 0.77 IMPDH2 (0.32) IMPDH2IMPDH1
SCHEMBL8565835 0.76 IMPDH1 (0.31) IMPDH2IMPDH1
SCHEMBL8564172 0.76 IMPDH2 (0.41) HTR2BIMPDH2IMPDH1KDM4E
SCHEMBL29793173 0.76 IMPDH2 (0.41) HTR2BIMPDH2IMPDH1KDM4E
SCHEMBL15071874 0.75 CA2 (0.42) IMPDH2IMPDH1
SCHEMBL4962807 0.74 ALOX5 (0.47) IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
US-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2019-01-29 US disclosed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 US disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 US 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
WO-2014145116-A2 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 WO 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 (4 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 HTR2A 1162/4885HTR2C 1994/4885HTR2B 2434/4885
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 HTR2A 1828/4885HTR2C 3183/4885HTR2B 3414/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 HTR2A 1828/4885HTR2C 3183/4885HTR2B 3414/4885
US-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders NQO1, COQ8A, NDUFAB1 HTR2A 1162/4885HTR2C 1994/4885HTR2B 2434/4885

“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.