SCHEMBL655185

SCHEMBL655185

COc1cc(OC)c(C=NO)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TLR9 Q9NR96 2/20 0.46
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TBXA2R P21731 1/20 0.43
HSPB1 P04792 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL655184 1.00 MAPT (0.49) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL658418 0.84 PTGS2 (0.50) MAPTMEN1KMT2ASMN1; SMN2TLR9
SCHEMBL657236 0.82 MAPT (0.49) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL657237 0.82 MAPT (0.49) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13726940 0.80 MAPT (0.74) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13726744 0.80 MAPT (0.74) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7895508 0.78 MAPT (0.45) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28667568 0.78 LMNA (0.53) LMNAHPGDHTTALDH1A1
SCHEMBL13915773 0.77 TLR9 (0.59) MAPTMEN1KMT2ATLR9PTGS2
Methoxymethane SCHEMBL28676370 0.76 LMNA (0.51) LMNAHPGDHTTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102438988-B Resorcinol derivatives as hsp90 inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-06-24 CN 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
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
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 84/4885MEN1 3746/4885KMT2A 3186/4885

“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.