SCHEMBL13633596

SCHEMBL13633596

CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc2ccccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.72
SLC7A11 Q9UPY5 1/20 0.72
HIF1A Q16665 10/20 0.53
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
HTR7 P34969 3/20 0.45
RAB9A P51151 1/20 0.44
MGLL Q99685 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL13633615 0.90 VDAC2 (0.63) VDAC2SLC7A11HIF1ANPSR1LMNA
SCHEMBL13633662 0.89 VDAC2 (0.79) VDAC2SLC7A11HIF1ANPSR1LMNA
SCHEMBL13633722 0.86 VDAC2 (0.68) VDAC2SLC7A11HIF1ANPSR1LMNA
SCHEMBL13633716 0.86 VDAC2 (0.68) VDAC2SLC7A11HIF1ANPSR1LMNA
SCHEMBL13633698 0.86 VDAC2 (0.67) VDAC2SLC7A11HIF1ANPSR1LMNA
SCHEMBL13633746 0.85 VDAC2 (0.67) VDAC2SLC7A11HIF1ANPSR1LMNA
SCHEMBL4462685 0.84 VDAC2 (0.73) VDAC2SLC7A11HIF1ANPSR1LMNA
SCHEMBL13633714 0.84 VDAC2 (0.73) VDAC2SLC7A11HIF1ANPSR1LMNA
Erastin SCHEMBL22213543 0.84 SLC7A11 (1.00) VDAC2SLC7A11HIF1ALMNA
Erastin SCHEMBL31385520 0.84 SLC7A11 (1.00) VDAC2SLC7A11HIF1ALMNA

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.