SCHEMBL13633728

SCHEMBL13633728

CC(c1nc2cc(Cl)ccc2c(=O)n1C)N1CCN(C(=O)COCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.51
VDAC2 P45880 1/20 0.50
SLC7A11 Q9UPY5 1/20 0.50
CYP3A4 P08684 1/20 0.44

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
SCHEMBL27256088 0.91 GRM5 (0.44) GRM5VDAC2SLC7A11
SCHEMBL15457163 0.89 VDAC2 (0.47) VDAC2SLC7A11CYP3A4
SCHEMBL13633725 0.88 SLC7A11 (0.61) VDAC2SLC7A11
SCHEMBL15457164 0.82 POLB (0.46) VDAC2SLC7A11CYP3A4
SCHEMBL27256747 0.78 GRM5 (0.43) GRM5VDAC2SLC7A11
SCHEMBL27256089 0.78 VDAC2 (0.54) VDAC2SLC7A11
SCHEMBL13633652 0.77 CACNA2D1 (0.43) GRM5VDAC2SLC7A11
SCHEMBL15457166 0.76 CASP1 (0.49) CYP3A4
SCHEMBL15457088 0.76 ALDH1A1 (0.46) VDAC2SLC7A11
SCHEMBL15457169 0.76 TP53 (0.49) VDAC2SLC7A11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 GRM5 809/4885VDAC2 3980/4885SLC7A11 1250/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 GRM5 1038/4885VDAC2 2/4885SLC7A11 565/4885

“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.