SCHEMBL4923339

SCHEMBL4923339

COc1cccc(CNC(=O)c2cc(Br)c(Br)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
MMP13 P45452 3/20 0.61
MAPT P10636 3/20 0.55
ROCK1 Q13464 1/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
PDPK1 O15530 1/20 0.55
DAPK3 O43293 1/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
RET P07949 1/20 0.55
PIM1 P11309 1/20 0.55
FGFR1 P11362 1/20 0.55
FLT1 P17948 1/20 0.55
RPS6KB1 P23443 1/20 0.55

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
SCHEMBL4928216 0.84 KMT2A (0.68) HPGDLMNAMMP13MAPTROCK1
SCHEMBL4928113 0.82 HPGD (0.55) HPGDKDRMAPKAPK2ALDH1A1CLK1
SCHEMBL4923598 0.80 MMP13 (0.64) HPGDLMNAMMP13MAPTROCK1
SCHEMBL9422985 0.79 KMT2A (0.62) MAPTALDH1A1HTTSMN1; SMN2TP53
SCHEMBL6123167 0.79 ALDH1A1 (0.74) HPGDLMNAMMP13MAPTROCK1
SCHEMBL12496063 0.78 MMP13 (0.61) HPGDLMNAMMP13MAPTROCK1
SCHEMBL13068824 0.77 HPGD (0.60) HPGDLMNAMMP13MAPTROCK1
SCHEMBL3816878 0.77 HPGD (0.79) HPGDLMNAMMP13ROCK1AURKA
SCHEMBL2229969 0.76 HDAC6 (0.74) HPGDLMNAMMP13ALDH1A1KDM4E
SCHEMBL12272209 0.76 MAOB (0.45) HPGDLMNAMMP13MAPTROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
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 HPGD 398/4885LMNA 2094/4885MMP13 1609/4885

“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.