SCHEMBL5440840

SCHEMBL5440840

CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(N)cc3)CC2)nc2ccccc2c1=O

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 5/20 0.85
VDAC2 P45880 1/20 0.85
HIF1A Q16665 8/20 0.51
HTR7 P34969 4/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL13633718 0.94 SLC7A11 (0.89) SLC7A11VDAC2HIF1AHTR7HSP90AA1
SCHEMBL25793246 0.93 SLC7A11 (0.87) SLC7A11VDAC2HIF1AHTR7ALDH1A1
SCHEMBL4461445 0.92 SLC7A11 (0.83) SLC7A11VDAC2HIF1AHTR7ALDH1A1
Erastin SCHEMBL31385520 0.92 SLC7A11 (1.00) SLC7A11VDAC2HIF1ALMNA
Erastin SCHEMBL29370998 0.92 SLC7A11 (1.00) SLC7A11VDAC2HIF1ALMNA
Erastin SCHEMBL22213543 0.92 SLC7A11 (1.00) SLC7A11VDAC2HIF1ALMNA
SCHEMBL14222558 0.92 SLC7A11 (0.85) SLC7A11VDAC2HIF1AHTR7ALDH1A1
Erastin SCHEMBL4457820 0.92 SLC7A11 (1.00) SLC7A11VDAC2HIF1ALMNA
SCHEMBL4463410 0.90 SLC7A11 (0.84) SLC7A11VDAC2HIF1AALDH1A1LMNA
SCHEMBL18387789 0.89 SLC7A11 (0.81) SLC7A11VDAC2HIF1AHTR7ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 3980/4885HIF1A 928/4885

“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.