SCHEMBL657033

SCHEMBL657033

CCc1c(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)noc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.58
HSP90AB1 P08238 11/20 0.58
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL16354100 0.77 HSP90AA1 (0.74) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL656807 0.77 HSP90AA1 (0.74) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL658093 0.76 HSP90AA1 (0.65) HSP90AA1HSP90AB1MEN1KMT2AKDM4E
SCHEMBL656790 0.74 HSP90AA1 (0.75) HSP90AA1HSP90AB1MAPT
SCHEMBL656349 0.74 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL656598 0.74 HSP90AA1 (0.62) HSP90AA1HSP90AB1MAPTKDM4E
SCHEMBL657885 0.73 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL655248 0.73 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL657410 0.72 HSP90AA1 (0.72) HSP90AA1HSP90AB1
SCHEMBL658492 0.72 HSP90AA1 (0.68) 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 4 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-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 1/4885MEN1 3746/4885

“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.