SCHEMBL4918922

SCHEMBL4918922

CCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccncc3)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.54
▸ MAPK12 P53778 1/20 0.54
▸ MAPK11 Q15759 1/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ KDM4E B2RXH2 8/20 0.51
▸ HSD17B10 Q99714 6/20 0.51
▸ HPGD P15428 4/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ GAA P10253 2/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM5 P08912 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.49

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
SCHEMBL14007150 0.85 MAPK11 (0.52) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5721919 0.82 KMT2A (0.56) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL4925746 0.77 GAA (0.55) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL1196914 0.74 NOS2 (0.65) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4853516 0.73 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL622871 0.73 CDC7 (0.63) MAPK14HSD17B10HPGDALDH1A1HDAC3
SCHEMBL8213332 0.73 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL12855299 0.72 KDM4E (0.60) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL12301984 0.71 ALDH1A1 (0.63) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL7064071 0.71 CHRNA7 (0.56) MAPK13MAPK12MAPK11MAPK14HDAC3

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-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 — — EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 — — WO 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 (1 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN MAPK13 512/4885MAPK12 569/4885MAPK11 293/4885

“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.

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