SCHEMBL658576

SCHEMBL658576

CCNC(=O)c1cc(-c2c(O)cc(O)cc2OCc2ccccc2)on1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.64
HSP90AB1 P08238 6/20 0.60
SMPD1 P17405 1/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 2/20 0.45
POLB P06746 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL10147676 0.84 SMPD1 (0.47) HSP90AA1HSP90AB1SMPD1HPGDALDH1A1
SCHEMBL658378 0.82 HSP90AA1 (0.71) HSP90AA1HSP90AB1HPGDALDH1A1HSD17B10
SCHEMBL657071 0.80 HSP90AA1 (0.66) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL19766828 0.80 HPGD (0.53) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL19638166 0.79 HPGD (0.53) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL658114 0.79 HPGD (0.53) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL658368 0.79 HPGD (0.53) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL655031 0.79 HSP90AA1 (0.54) HSP90AA1HSP90AB1SMPD1HPGDALDH1A1
SCHEMBL657522 0.79 SMPD1 (0.47) HSP90AA1HSP90AB1SMPD1HPGDALDH1A1
SCHEMBL10147625 0.78 HSP90AA1 (0.54) HSP90AA1HSP90AB1SMPD1HPGDALDH1A1

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 11 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
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 1/4885SMPD1 3924/4885

“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.