SCHEMBL13633726

SCHEMBL13633726

Cc1ccc(-n2c(C(C)N3CCN(C(=O)COc4ccccc4)C(C)C3)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 5/20 0.51
VDAC2 P45880 1/20 0.51
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR7 P34969 4/20 0.42
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
KCNA5 P22460 1/20 0.37
PFKFB3 Q16875 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36

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
SCHEMBL27256096 0.98 SLC7A11 (0.52) SLC7A11VDAC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13633729 0.95 SLC7A11 (0.59) SLC7A11VDAC2ALDH1A1HTR7
SCHEMBL27256110 0.87 VDAC2 (0.59) SLC7A11VDAC2ALDH1A1MAPTHTR7
SCHEMBL13633657 0.86 VDAC2 (0.60) SLC7A11VDAC2ALDH1A1MAPTKDM4E
SCHEMBL27256099 0.85 VDAC2 (0.55) SLC7A11VDAC2ALDH1A1MAPTKCNH2
SCHEMBL13633614 0.84 VDAC2 (0.57) SLC7A11VDAC2ALDH1A1MAPTKCNH2
SCHEMBL13633677 0.84 SLC7A11 (0.59) SLC7A11VDAC2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13633612 0.82 VDAC2 (0.49) SLC7A11VDAC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL27256085 0.81 VDAC2 (0.47) SLC7A11VDAC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13633707 0.81 SLC7A11 (0.68) SLC7A11VDAC2RAB9A

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 SLC7A11 1250/4885VDAC2 3980/4885ALDH1A1 1049/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 SLC7A11 906/4885VDAC2 553/4885ALDH1A1 2857/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 SLC7A11 565/4885VDAC2 2/4885ALDH1A1 4035/4885

“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.