SCHEMBL13633708

SCHEMBL13633708

COc1ccccc1-n1c(C(C)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C(C)C2)nc2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.41
SMO Q99835 3/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GHSR Q92847 1/20 0.41
HTR7 P34969 2/20 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
SCHEMBL13633685 0.95 VDAC2 (0.48) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633580 0.94 VDAC2 (0.49) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633618 0.94 VDAC2 (0.46) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633736 0.93 VDAC2 (0.46) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633663 0.92 VDAC2 (0.48) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633661 0.92 VDAC2 (0.44) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633655 0.90 VDAC2 (0.43) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633592 0.90 VDAC2 (0.46) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL27256103 0.90 VDAC2 (0.43) VDAC2SLC7A11ALDH1A1MAPK1MEN1
SCHEMBL13633659 0.89 VDAC2 (0.47) VDAC2SLC7A11ALDH1A1MAPK1MEN1

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