SCHEMBL13633616

SCHEMBL13633616

COc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccccc3)CC2)nc2ccccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 6/20 0.77
VDAC2 P45880 1/20 0.77
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTR7 P34969 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL13633718 0.92 SLC7A11 (0.89) SLC7A11VDAC2LMNAALDH1A1HIF1A
SCHEMBL25793246 0.88 SLC7A11 (0.87) SLC7A11VDAC2LMNAKDM4EALDH1A1
Erastin SCHEMBL29370998 0.87 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL22213543 0.87 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL5440840 0.87 SLC7A11 (0.85) SLC7A11VDAC2LMNAKDM4EALDH1A1
SCHEMBL14222558 0.87 SLC7A11 (0.85) SLC7A11VDAC2LMNAALDH1A1HIF1A
Erastin SCHEMBL4457820 0.87 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL13633657 0.87 VDAC2 (0.60) SLC7A11VDAC2KMT2AMEN1LMNA
Erastin SCHEMBL31385520 0.87 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL22220262 0.87 SLC7A11 (0.62) SLC7A11VDAC2KMT2AMEN1ALDH1A1

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 8 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.