SCHEMBL13633681

SCHEMBL13633681

COc1ccccc1-n1c(C(C)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
VDAC2 P45880 1/20 0.47
SLC7A11 Q9UPY5 1/20 0.47
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
CFTR P13569 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
GBA1 P04062 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL14447196 0.94 GAA (0.53) MEN1KMT2AVDAC2SLC7A11GAA
SCHEMBL15457101 0.82 GBA1 (0.50) CFTRL3MBTL1GBA1LMNAMAPT
SCHEMBL13633632 0.82 VDAC2 (0.69) VDAC2SLC7A11GAAGBA1LMNA
SCHEMBL15457056 0.80 CACNA2D1 (0.65) MEN1KMT2ACFTRL3MBTL1ALDH1A1
SCHEMBL4457790 0.80 CACNA2D1 (0.61) MEN1KMT2AVDAC2SLC7A11L3MBTL1
SCHEMBL15457210 0.79 GBA1 (0.47) CFTRL3MBTL1ALDH1A1GBA1LMNA
SCHEMBL13633735 0.79 VDAC2 (0.51) MEN1KMT2AVDAC2SLC7A11L3MBTL1
SCHEMBL15457183 0.79 CACNA2D1 (0.51) CFTRL3MBTL1GBA1MAPT
SCHEMBL15457184 0.79 CACNA2D1 (0.51) CFTRL3MBTL1GBA1MAPT
SCHEMBL3824460 0.79 CACNA2D1 (0.51) CFTRL3MBTL1GBA1MAPT

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 7 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

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-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 MEN1 4713/4885KMT2A 4386/4885VDAC2 553/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 MEN1 2178/4885KMT2A 3575/4885VDAC2 2/4885

“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.