SCHEMBL2942911

SCHEMBL2942911

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)C=[N+]=[N-])CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 2/20 0.41
GAA P10253 2/20 0.40
EPHX1 P07099 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.35
KCNA3 P22001 1/20 0.34

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
SCHEMBL2942910 1.00 BTK (0.47) BTKKDM1AMAOBCTSKGAA
SCHEMBL3910590 0.93 BTK (0.52) BTKKDM1AMAOBCTSKGAA
SCHEMBL15954762 0.81 BTK (0.40) BTKKDM1AMAOBCTSKGAA
SCHEMBL15954764 0.81 BTK (0.40) BTKKDM1AMAOBCTSKGAA
SCHEMBL7818034 0.80 KMT2A (0.48) EPHX1DRD2KMT2A
SCHEMBL7818041 0.80 KMT2A (0.48) EPHX1DRD2KMT2A
SCHEMBL3702157 0.79 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL10343938 0.79 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702152 0.79 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL1406894 0.79 BTK (0.61) BTKKDM1AMAOBCTSKGAA

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
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 EP 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-20050282808-A1 Benzofuran derivative F12, F2, F11 BTK 25/4885KDM1A 623/4885MAOB 328/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 BTK 24/4885KDM1A 635/4885MAOB 296/4885

“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.