SCHEMBL13633707

SCHEMBL13633707

COc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)C(C)C2)nc2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 15/20 0.68
VDAC2 P45880 1/20 0.68
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CCR1 P32246 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL13633657 0.95 VDAC2 (0.60) SLC7A11VDAC2LMNAMEN1KMT2A
SCHEMBL27256110 0.93 VDAC2 (0.59) SLC7A11VDAC2LMNAMEN1KMT2A
SCHEMBL13633677 0.88 SLC7A11 (0.59) SLC7A11VDAC2MAPK1CCR1MEN1
SCHEMBL13633729 0.87 SLC7A11 (0.59) SLC7A11VDAC2CCR1
SCHEMBL13633683 0.87 VDAC2 (0.53) SLC7A11VDAC2LMNAMAPK1MEN1
SCHEMBL13633731 0.87 SLC7A11 (0.64) SLC7A11VDAC2LMNAMAPK1CCR1
SCHEMBL13633740 0.86 VDAC2 (0.51) SLC7A11VDAC2LMNAMAPK1MEN1
SCHEMBL13633620 0.85 VDAC2 (0.49) SLC7A11VDAC2LMNAMAPK1MEN1
SCHEMBL13633679 0.84 VDAC2 (0.51) SLC7A11VDAC2LMNAMEN1KMT2A
SCHEMBL13633723 0.84 SLC7A11 (0.54) SLC7A11VDAC2CCR1MEN1KMT2A

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 3980/4885LMNA 2334/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 SLC7A11 906/4885VDAC2 553/4885LMNA 2122/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 SLC7A11 565/4885VDAC2 2/4885LMNA 3015/4885

“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.