SCHEMBL658378

SCHEMBL658378

CCNC(=O)c1cc(-c2c(O)cc(O)cc2Oc2ccc(NCc3ccccc3)cc2)on1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.71
HSP90AB1 P08238 12/20 0.67
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL657668 0.84 HSP90AA1 (0.77) HSP90AA1HSP90AB1MAPT
SCHEMBL657697 0.84 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL658687 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4E
SCHEMBL656421 0.83 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL658576 0.82 HSP90AA1 (0.64) HSP90AA1HSP90AB1HPGDHSD17B10KDM4E
SCHEMBL10183029 0.82 HSP90AA1 (0.60) HSP90AA1HSP90AB1HPGDHSD17B10KDM4E
SCHEMBL657219 0.82 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL16354193 0.81 HSP90AA1 (0.77) HSP90AA1HSP90AB1LMNAMAPT
SCHEMBL658566 0.81 HSP90AA1 (0.77) HSP90AA1HSP90AB1HPGDHSD17B10KDM4E
SCHEMBL656349 0.80 HSP90AA1 (1.00) 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 16 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 claimed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP claimed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP claimed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US claimed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO claimed
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 2/4885HSP90AB1 1/4885HPGD 589/4885

“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.