SCHEMBL13633614

SCHEMBL13633614

CCOc1ccc(-n2c(C(C)N3CCN(C(=O)COc4ccccc4)C(C)C3)nc3ccccc3c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.57
SLC7A11 Q9UPY5 1/20 0.57
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CXCR3 P49682 12/20 0.47
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL27256099 0.96 VDAC2 (0.55) VDAC2SLC7A11KMT2AKCNH2HRH3
SCHEMBL13633731 0.95 SLC7A11 (0.64) VDAC2SLC7A11KMT2AKCNH2HRH3
SCHEMBL13633677 0.92 SLC7A11 (0.59) VDAC2SLC7A11KMT2AKCNH2HRH3
SCHEMBL27256091 0.87 SLC7A11 (0.73) VDAC2SLC7A11KMT2AKCNH2HRH3
SCHEMBL13633612 0.86 VDAC2 (0.49) VDAC2SLC7A11KCNH2HRH3CXCR3
SCHEMBL13633657 0.85 VDAC2 (0.60) VDAC2SLC7A11KMT2AMAPTLMNA
SCHEMBL13633587 0.84 SLC7A11 (0.54) VDAC2SLC7A11KMT2AKCNH2HRH3
SCHEMBL13633726 0.84 SLC7A11 (0.51) VDAC2SLC7A11KCNH2HRH3MAPT
SCHEMBL27256096 0.83 SLC7A11 (0.52) VDAC2SLC7A11KCNH2HRH3MAPT
SCHEMBL27256110 0.82 VDAC2 (0.59) VDAC2SLC7A11KMT2AMAPTLMNA

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 10 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
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 VDAC2 3980/4885SLC7A11 1250/4885KMT2A 3738/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 VDAC2 553/4885SLC7A11 906/4885KMT2A 4386/4885
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.