SCHEMBL657147

SCHEMBL657147

O=C(NCCF)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)[nH]n1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.71
HSP90AB1 P08238 11/20 0.71
MMP13 P45452 1/20 0.37
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPT P10636 1/20 0.35

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
SCHEMBL657384 0.93 HSP90AA1 (0.60) HSP90AA1HSP90AB1MMP13MEN1CRHBP
SCHEMBL656783 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL657218 0.82 HSP90AA1 (0.51) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL7893314 0.82 HSP90AA1 (0.51) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL10147699 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL658314 0.78 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL656734 0.75 HSP90AA1 (0.43) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL656842 0.75 HSP90AA1 (0.86) HSP90AA1HSP90AB1
SCHEMBL7890886 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL10147694 0.74 HSP90AA1 (0.42) HSP90AA1HSP90AB1MEN1KMT2AMAPT

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 12 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
CN-102438988-A Resorcinol derivatives as hsp90 inhibitors NERVIANO MEDICAL SCIENCES SRL 2012-05-02 CN 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 1/4885MMP13 4278/4885

“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.