SCHEMBL7650714

SCHEMBL7650714

COc1ccc(OC)c2ncncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
NQO2 P16083 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RPS6KB1 P23443 1/20 0.39
CYP19A1 P11511 1/20 0.39
EGFR P00533 2/20 0.38
NQO1 P15559 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL27890836 0.87 FGFR4 (0.38) NPC1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL2170435 0.85 NQO2 (0.45) NPC1NQO2CYP1A2CYP3A4HSD17B10
SCHEMBL15660591 0.81 IMPDH2 (0.51) ALDH1A1RPS6KB1EGFRMAOAHPGDS
SCHEMBL666625 0.77 RPS6KB1 (0.47) RPS6KB1
SCHEMBL2171215 0.75 HPGDS (0.55) NPC1NQO2CYP1A2CYP3A4HSD17B10
SCHEMBL29831692 0.75 EGFR (0.47) NQO2CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL10957530 0.73 EGFR (0.45) CYP1A2CYP3A4HSD17B10ALDH1A1EGFR
Hydrochloric Acid SCHEMBL28192307 0.73 HPGDS (0.54) NPC1NQO2CYP1A2CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL5736824 0.73 EGFR (0.46) NPC1NQO2CYP1A2CYP3A4HSD17B10
SCHEMBL1506959 0.71 HTR1A (0.53) NPC1HSD17B10ALDH1A1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-22 US disclosed
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-22 US disclosed
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 US disclosed
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 US disclosed
CN-109328062-A Small molecule active oxygen cluster inducer and mitochondria activity inhibitor 密执安大学评议会 2019-02-12 CN disclosed
EP-3426249-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY The Regents of The University of Michigan (US) 2019-01-16 EP disclosed
US-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using UNITED STATES GOVERNMENT 2018-05-31 US disclosed
US-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using UNITED STATES GOVERNMENT 2018-05-31 US disclosed
WO-2017155991-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-09-14 WO disclosed
WO-2017155991-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-09-14 WO disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 US disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 US disclosed
WO-2012064396-A9 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-07-05 WO disclosed
WO-2012064396-A2 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-05-18 WO disclosed
CN-102459249-A Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases EXELIXIS INC 2012-05-16 CN 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-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using EZR, CDC42, ERMP1 NPC1 815/4885NQO2 1003/4885CYP1A2 4699/4885
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY SQOR, MAVS, TFAM NPC1 3235/4885NQO2 92/4885CYP1A2 1522/4885
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING EZR, NHERF1, ERMP1 NPC1 914/4885NQO2 1074/4885CYP1A2 4642/4885
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity SQOR, MAVS, TFAM NPC1 3235/4885NQO2 92/4885CYP1A2 1522/4885

“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.