SCHEMBL4655071

SCHEMBL4655071

Cc1c(CCCO)sc2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
PFKFB3 Q16875 1/20 0.36
PFKFB4 Q16877 1/20 0.36
EPM2A O95278 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CYP2A6 P11509 2/20 0.33
TBXAS1 P24557 1/20 0.33
LMNA P02545 1/20 0.33
NPY1R P25929 2/20 0.31
SLC6A4 P31645 1/20 0.31
TP53 P04637 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PRNP P04156 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL4655136 0.88 TBXAS1 (0.33) TBXAS1LMNAALDH1A1
SCHEMBL4654001 0.86 PIM1 (0.34) MAPTPFKFB3PFKFB4EPM2APTPN2
SCHEMBL4655217 0.78 MEN1 (0.39) MAPTEPM2APTPN2PTPN1PTPN22
SCHEMBL4654288 0.74 TBXAS1 (0.32) TBXAS1
SCHEMBL3928426 0.74 CYP2A6 (0.41) MAPTPFKFB3PFKFB4EPM2APTPN2
SCHEMBL4654028 0.73 PFKFB3 (0.38) MAPTPFKFB3PFKFB4EPM2APTPN2
SCHEMBL10858277 0.71 TBXAS1 (0.36) MAPTCYP2A6TBXAS1LMNATP53
SCHEMBL12431299 0.71 PFKFB3 (0.38) MAPTPFKFB3PFKFB4EPM2APTPN2
SCHEMBL8110812 0.71 PFKFB3 (0.39) PFKFB3PFKFB4EPM2APTPN2PTPN1
SCHEMBL12431301 0.71 ROCK1 (0.44) PFKFB3PFKFB4EPM2APTPN2PTPN1

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
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
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 MAPT 1081/4885PFKFB3 723/4885PFKFB4 577/4885

“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.