SCHEMBL13633725

SCHEMBL13633725

CC(c1nc2cc(Cl)ccc2c(=O)n1C)N1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 12/20 0.61
VDAC2 P45880 1/20 0.61
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GPR183 P32249 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL27256089 0.90 VDAC2 (0.54) SLC7A11VDAC2GAAMEN1KMT2A
SCHEMBL13633728 0.88 GRM5 (0.51) SLC7A11VDAC2
SCHEMBL15457163 0.86 VDAC2 (0.47) SLC7A11VDAC2MEN1KMT2AGPR183
SCHEMBL1593568 0.81 SLC7A11 (0.88) SLC7A11VDAC2
SCHEMBL13998015 0.81 SLC7A11 (0.79) SLC7A11VDAC2MEN1KMT2AGPR183
SCHEMBL15457164 0.80 POLB (0.46) SLC7A11VDAC2MEN1KMT2APOLB
SCHEMBL4457851 0.79 SLC7A11 (0.82) SLC7A11VDAC2MEN1KMT2AGPR183
SCHEMBL15457169 0.79 TP53 (0.49) SLC7A11VDAC2MEN1KMT2APOLB
SCHEMBL27256088 0.78 GRM5 (0.44) SLC7A11VDAC2
SCHEMBL15457166 0.77 CASP1 (0.49) MEN1KMT2APOLB

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 3980/4885GAA 710/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 SLC7A11 906/4885VDAC2 553/4885GAA 1034/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 SLC7A11 565/4885VDAC2 2/4885GAA 3319/4885

“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.