SCHEMBL3093231

SCHEMBL3093231

COc1cccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.69
HSP90AB1 P08238 3/20 0.69
RAB9A P51151 1/20 0.52
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MMP13 P45452 1/20 0.50
APEX1 P27695 1/20 0.50
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.47

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
SCHEMBL3103577 0.89 HSP90AA1 (0.67) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL13151404 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL5748915 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1MAPTALDH1A1MMP13
SCHEMBL3096292 0.83 HSP90AA1 (0.68) HSP90AA1HSP90AB1HPGDKMT2AMEN1
SCHEMBL13151378 0.83 HSP90AA1 (0.67) HSP90AA1HSP90AB1RAB9AMAPTALDH1A1
SCHEMBL3103510 0.83 HSP90AA1 (0.53) HSP90AA1HSP90AB1MAPTHPGDALDH1A1
SCHEMBL3082929 0.82 HSP90AA1 (0.53) HSP90AA1HSP90AB1HPGDKMT2AMEN1
SCHEMBL3096102 0.81 HSP90AA1 (0.64) HSP90AA1HSP90AB1KMT2AMEN1SMN1; SMN2
SCHEMBL3097536 0.80 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL3096215 0.79 HSP90AA1 (0.56) HSP90AA1HSP90AB1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US claimed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US claimed
EP-1567151-B1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS CAMBRIDGE LTD (GB) 2006-03-15 EP claimed
EP-1567151-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER Vernalis (Cambridge) Limited (GB) 2005-08-31 EP claimed
WO-2004050087-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-06-17 WO claimed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US disclosed
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders BAER PHAMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
EP-1654245-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-10 EP disclosed
EP-1567151-B1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS CAMBRIDGE LTD (GB) 2006-03-15 EP disclosed
EP-1567151-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER Vernalis (Cambridge) Limited (GB) 2005-08-31 EP disclosed
WO-2005014566-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-17 WO disclosed
WO-2004050087-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-06-17 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 (4 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HSP90AA1 672/4885HSP90AB1 442/4885RAB9A 4187/4885
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885RAB9A 2454/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI HSP90AA1 655/4885HSP90AB1 409/4885RAB9A 4278/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HSP90AA1 672/4885HSP90AB1 442/4885RAB9A 4187/4885

“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.