SCHEMBL13633720

SCHEMBL13633720

CCC(c1nc2ccccc2c(=O)n1CCOC)N1CCN(C(=O)COc2ccc(Cl)cc2)C(C)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.58
VDAC2 P45880 1/20 0.48
SLC7A11 Q9UPY5 1/20 0.48
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
CCR1 P32246 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL13751461 0.93 CACNA2D1 (0.59) CACNA2D1VDAC2SLC7A11ALDH1A1TSHR
SCHEMBL13633587 0.87 SLC7A11 (0.54) VDAC2SLC7A11CCR1KMT2A
SCHEMBL27256092 0.84 SLC7A11 (0.51) VDAC2SLC7A11CCR1RXFP1KMT2A
SCHEMBL13633723 0.81 SLC7A11 (0.54) CACNA2D1VDAC2SLC7A11TSHRCCR1
SCHEMBL14264723 0.80 CACNA2D1 (0.60) CACNA2D1ALDH1A1TSHRMEN1KMT2A
SCHEMBL13633731 0.78 SLC7A11 (0.64) VDAC2SLC7A11CCR1KMT2AMAPT
SCHEMBL13633612 0.78 VDAC2 (0.49) CACNA2D1VDAC2SLC7A11ALDH1A1TSHR
SCHEMBL13633677 0.77 SLC7A11 (0.59) VDAC2SLC7A11ALDH1A1TSHRCCR1
SCHEMBL13633707 0.77 SLC7A11 (0.68) VDAC2SLC7A11CCR1MEN1KMT2A
SCHEMBL27256095 0.77 VDAC2 (0.42) CACNA2D1VDAC2SLC7A11ALDH1A1TSHR

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-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-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 (2 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 CACNA2D1 3383/4885VDAC2 3980/4885SLC7A11 1250/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 CACNA2D1 4573/4885VDAC2 553/4885SLC7A11 906/4885

“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.