SCHEMBL13633731

SCHEMBL13633731

CCOc1ccc(-n2c(C(C)N3CCN(C(=O)COc4ccc(Cl)cc4)C(C)C3)nc3ccccc3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 5/20 0.64
VDAC2 P45880 1/20 0.64
KMT2A Q03164 1/20 0.45
CXCR3 P49682 7/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CCR1 P32246 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 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
SCHEMBL13633614 0.95 VDAC2 (0.57) SLC7A11VDAC2KMT2ACXCR3KCNH2
SCHEMBL13633677 0.95 SLC7A11 (0.59) SLC7A11VDAC2KMT2AKCNH2HRH3
SCHEMBL27256099 0.93 VDAC2 (0.55) SLC7A11VDAC2KMT2ACXCR3KCNH2
SCHEMBL13633587 0.89 SLC7A11 (0.54) SLC7A11VDAC2KMT2ACXCR3KCNH2
SCHEMBL13633707 0.87 SLC7A11 (0.68) SLC7A11VDAC2KMT2ACCR1LMNA
SCHEMBL27256092 0.87 SLC7A11 (0.51) SLC7A11VDAC2KMT2AKCNH2HRH3
SCHEMBL13633729 0.85 SLC7A11 (0.59) SLC7A11VDAC2CCR1
SCHEMBL13633723 0.85 SLC7A11 (0.54) SLC7A11VDAC2KMT2ACCR1
SCHEMBL13998015 0.83 SLC7A11 (0.79) SLC7A11VDAC2KMT2AKCNH2HRH3
SCHEMBL27256091 0.82 SLC7A11 (0.73) SLC7A11VDAC2KMT2ACXCR3KCNH2

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 9 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-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 SLC7A11 1250/4885VDAC2 3980/4885KMT2A 3738/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 SLC7A11 906/4885VDAC2 553/4885KMT2A 4386/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 SLC7A11 565/4885VDAC2 2/4885KMT2A 3575/4885

“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.