SCHEMBL13633623

SCHEMBL13633623

CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)nc2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.59
SLC7A11 Q9UPY5 1/20 0.59
HIF1A Q16665 9/20 0.53
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43
MGLL Q99685 2/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL13633621 0.92 VDAC2 (0.63) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633741 0.89 VDAC2 (0.63) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633697 0.86 VDAC2 (0.68) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633700 0.85 VDAC2 (0.68) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633658 0.84 VDAC2 (0.65) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13751484 0.84 VDAC2 (0.67) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633662 0.84 VDAC2 (0.79) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633727 0.84 VDAC2 (0.67) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633680 0.84 VDAC2 (0.52) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633748 0.84 VDAC2 (0.65) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2

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 5 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-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-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 1250/4885HIF1A 928/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 VDAC2 553/4885SLC7A11 906/4885HIF1A 726/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 VDAC2 2/4885SLC7A11 565/4885HIF1A 2396/4885

“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.