SCHEMBL658441

SCHEMBL658441

CCOC(=O)c1conc1-c1c(OC)cc(OC)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL657005 0.80 HSP90AA1 (0.46) MAPTHSP90AA1HSP90AB1SMN1; SMN2KMT2A
SCHEMBL1531345 0.73 SMN1; SMN2 (0.48) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL11400231 0.72 MAPT (0.55) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL28160007 0.71 TSHR (0.51) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL25406529 0.71 MAPT (0.49) MAPTSMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL656515 0.69 HSP90AA1 (0.51) MAPTHSP90AA1HSP90AB1RAB9AMAOB
SCHEMBL5925521 0.69 MAPT (0.62) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4941803 0.69 SMN1; SMN2 (0.59) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL10147590 0.69 HSP90AA1 (0.55) MAPTHSP90AA1HSP90AB1SMN1; SMN2KMT2A
SCHEMBL658319 0.69 HSP90AA1 (0.43) MAPTHSP90AA1HSP90AB1SMN1; SMN2KMT2A

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 9 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
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 MAPT 84/4885HSP90AA1 2/4885HSP90AB1 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.