SCHEMBL657005

SCHEMBL657005

CCOC(=O)c1cc(-c2c(OC)cc(OC)cc2Oc2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HSP90AB1 P08238 2/20 0.43
MAPT P10636 3/20 0.41
AR P10275 1/20 0.40
MAOB P27338 1/20 0.40
PDE7A Q13946 1/20 0.39
PDE3A Q14432 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
USP10 Q14694 1/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
SCHEMBL658319 0.87 HSP90AA1 (0.43) HSP90AA1L3MBTL1HSP90AB1MAPTAR
SCHEMBL7898075 0.86 HSP90AA1 (0.44) HSP90AA1L3MBTL1HSP90AB1MAPTAR
SCHEMBL656598 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1MAPTARMAOB
SCHEMBL657051 0.84 MAOB (0.46) HSP90AA1HSP90AB1MAPTARMAOB
SCHEMBL7889755 0.84 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTARMAOB
SCHEMBL10147656 0.82 HSP90AA1 (0.44) HSP90AA1HSP90AB1MAPTARMAOB
SCHEMBL658441 0.80 MAPT (0.42) HSP90AA1L3MBTL1HSP90AB1MAPTAR
SCHEMBL2296719 0.78 RAB9A (0.54) L3MBTL1MAPTARHTTGAA
SCHEMBL656890 0.74 LMNA (0.38) HSP90AA1L3MBTL1MAPTHTTGAA
SCHEMBL7898078 0.73 HSP90AA1 (0.53) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885L3MBTL1 3565/4885HSP90AB1 1/4885

“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.