SCHEMBL4654124

SCHEMBL4654124

Cc1c(CCCBr)sc2ccc(C(F)(F)F)cc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KIF11 P52732 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
MAPT P10636 1/20 0.34
ROCK1 Q13464 1/20 0.34
G6PD P11413 1/20 0.32
TLR9 Q9NR96 1/20 0.32
EPM2A O95278 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
TBXAS1 P24557 1/20 0.32
BACE1 P56817 1/20 0.31
MIF P14174 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL4655144 0.89 SIRT2 (0.34) PIM1PIM2KIF11MEN1KMT2A
SCHEMBL4655217 0.86 MEN1 (0.39) PIM1PIM2KIF11MEN1KMT2A
SCHEMBL4654001 0.80 PIM1 (0.34) PIM1PIM2MAPTEPM2APTPN2
SCHEMBL1076818 0.80 MEN1 (0.42) PIM1PIM2KIF11MEN1KMT2A
SCHEMBL4654232 0.76 MEN1 (0.34) KIF11MEN1KMT2ASIRT2
SCHEMBL14469140 0.75 PPARD (0.39)
SCHEMBL4655072 0.75 LMNA (0.38) MEN1KMT2AMAPT
SCHEMBL27829362 0.71 KCNK3 (0.41) KIF11MEN1KMT2AMAPTTBXAS1
SCHEMBL4655159 0.71 KIF11 (0.36) PIM1PIM2KIF11MEN1KMT2A
SCHEMBL4655157 0.71 KIF11 (0.36) PIM1PIM2KIF11MEN1KMT2A

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
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1740568-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORPORATION (US) 2007-01-10 EP disclosed
WO-2005077926-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 PIM1 2402/4885PIM2 2780/4885KIF11 3569/4885

“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.