SCHEMBL13633653

SCHEMBL13633653

CCOc1ccc(-n2c(C(CC)N3CCN(C(=O)COc4ccccc4)CC3)nc3ccccc3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.60
SLC7A11 Q9UPY5 1/20 0.60
KMT2A Q03164 4/20 0.53
CXCR3 P49682 4/20 0.49
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45

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
SCHEMBL13633721 0.95 SLC7A11 (0.68) VDAC2SLC7A11KMT2ACXCR3KCNH2
SCHEMBL27256091 0.90 SLC7A11 (0.73) VDAC2SLC7A11KMT2ACXCR3KCNH2
SCHEMBL13633591 0.82 SLC7A11 (0.64) VDAC2SLC7A11KMT2ACXCR3KCNH2
SCHEMBL6227669 0.81 VDAC2 (0.62) VDAC2SLC7A11KMT2ACXCR3KCNH2
SCHEMBL13998015 0.81 SLC7A11 (0.79) VDAC2SLC7A11KMT2AKCNH2HRH3
SCHEMBL13633587 0.80 SLC7A11 (0.54) VDAC2SLC7A11KMT2ACXCR3KCNH2
SCHEMBL13633614 0.79 VDAC2 (0.57) VDAC2SLC7A11KMT2ACXCR3KCNH2
SCHEMBL13633718 0.79 SLC7A11 (0.89) VDAC2SLC7A11LMNAALDH1A1
SCHEMBL27256092 0.78 SLC7A11 (0.51) VDAC2SLC7A11KMT2AKCNH2HRH3
SCHEMBL25793246 0.76 SLC7A11 (0.87) VDAC2SLC7A11MAPTLMNAALDH1A1

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-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 (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-20070161644-A1 Erastin analogs and uses thereof ERAP2, ERAP1, ERAL1 VDAC2 3980/4885SLC7A11 1250/4885KMT2A 3738/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 VDAC2 2/4885SLC7A11 565/4885KMT2A 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.