SCHEMBL13633587

SCHEMBL13633587

CCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(Cl)cc2)C(C)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 6/20 0.54
VDAC2 P45880 1/20 0.54
HRH3 Q9Y5N1 6/20 0.44
KCNH2 Q12809 3/20 0.44
CCR1 P32246 1/20 0.44
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CXCR3 P49682 1/20 0.40
JUN P05412 1/20 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
SCHEMBL27256092 0.97 SLC7A11 (0.51) SLC7A11VDAC2HRH3KCNH2CCR1
SCHEMBL13633731 0.89 SLC7A11 (0.64) SLC7A11VDAC2HRH3KCNH2CCR1
SCHEMBL27256095 0.89 VDAC2 (0.42) SLC7A11VDAC2KMT2ASMN1; SMN2CXCR3
SCHEMBL13633677 0.89 SLC7A11 (0.59) SLC7A11VDAC2HRH3KCNH2CCR1
SCHEMBL13633720 0.87 CACNA2D1 (0.58) SLC7A11VDAC2CCR1KMT2A
SCHEMBL13633721 0.85 SLC7A11 (0.68) SLC7A11VDAC2HRH3KCNH2KMT2A
SCHEMBL13633614 0.84 VDAC2 (0.57) SLC7A11VDAC2HRH3KCNH2KMT2A
SCHEMBL12829874 0.83 SMN1; SMN2 (0.43) HRH3KCNH2KMT2ASMN1; SMN2CXCR3
SCHEMBL27256099 0.82 VDAC2 (0.55) SLC7A11VDAC2HRH3KCNH2KMT2A
SCHEMBL13633579 0.82 CXCR3 (0.42) KMT2ACXCR3

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 9 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-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 3980/4885HRH3 3021/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 SLC7A11 906/4885VDAC2 553/4885HRH3 4720/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 SLC7A11 565/4885VDAC2 2/4885HRH3 2827/4885

“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.