SCHEMBL13633626

SCHEMBL13633626

CCCC(=O)N(C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.53
SLC7A11 Q9UPY5 1/20 0.53
HIF1A Q16665 7/20 0.52
CXCR3 P49682 8/20 0.51
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
HTR7 P34969 2/20 0.47

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
SCHEMBL13633695 0.94 CXCR3 (0.59) VDAC2SLC7A11HIF1ACXCR3
SCHEMBL13633654 0.89 HIF1A (0.54) VDAC2SLC7A11HIF1ACXCR3MEN1
SCHEMBL13633696 0.88 CXCR3 (0.53) VDAC2SLC7A11HIF1ACXCR3MEN1
SCHEMBL4458674 0.81 HIF1A (0.60) VDAC2SLC7A11HIF1AMEN1NPC1
SCHEMBL4462685 0.76 VDAC2 (0.73) VDAC2SLC7A11HIF1AMEN1NPC1
SCHEMBL13633630 0.76 VDAC2 (0.78) VDAC2SLC7A11HIF1AMEN1KMT2A
SCHEMBL13633582 0.76 VDAC2 (0.72) VDAC2SLC7A11HIF1AMEN1NPC1
SCHEMBL13546137 0.75 CXCR3 (0.65) CXCR3HTR7
SCHEMBL13633631 0.75 VDAC2 (0.71) VDAC2SLC7A11HIF1ACXCR3HTR7
SCHEMBL13633730 0.75 VDAC2 (0.71) VDAC2SLC7A11HIF1ACXCR3HTR7

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
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
US-8518959-B2 Quinoxaline derivatives as antitumor agents PROLEXYS PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-8518959-B2 Quinoxaline derivatives as antitumor agents PROLEXYS PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-7615554-B2 Erastin and erastin binding proteins, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed
US-7615554-B2 Erastin and erastin binding proteins, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents PROLEXYS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents PROLEXYS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 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 (3 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-20070161644-A1 Erastin analogs and uses thereof ERAP2, ERAP1, ERAL1 VDAC2 3980/4885SLC7A11 1250/4885HIF1A 928/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 VDAC2 553/4885SLC7A11 906/4885HIF1A 726/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 VDAC2 2/4885SLC7A11 565/4885HIF1A 2396/4885

“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.