SCHEMBL656722

SCHEMBL656722

CCNC(=O)c1cc(-c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2Oc2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.53
HSP90AB1 P08238 3/20 0.53
AKR1C3 P42330 3/20 0.44
CYP19A1 P11511 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
PPIA P62937 2/20 0.40
FFAR1 O14842 1/20 0.40
PPIF P30405 1/20 0.40
PTGES O14684 1/20 0.39

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
SCHEMBL10147649 0.94 HSP90AA1 (0.52) HSP90AA1HSP90AB1AKR1C3CYP19A1MEN1
SCHEMBL657051 0.87 MAOB (0.46) HSP90AA1HSP90AB1AKR1C3CYP19A1MEN1
SCHEMBL7898078 0.87 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL656563 0.87 HSP90AA1 (0.69) HSP90AA1HSP90AB1AKR1C3CYP19A1
SCHEMBL16354278 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1AKR1C3CYP19A1MEN1
SCHEMBL657885 0.83 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL10147656 0.82 HSP90AA1 (0.44) HSP90AA1HSP90AB1AKR1C3CYP19A1MEN1
SCHEMBL10147476 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1AKR1C3CYP19A1MEN1
SCHEMBL656613 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1CYP19A1
SCHEMBL657151 0.78 HSP90AA1 (0.60) HSP90AA1HSP90AB1AKR1C3MEN1KMT2A

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 5 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
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
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 1/4885AKR1C3 2035/4885

“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.