SCHEMBL7202159

SCHEMBL7202159

O=Nc1c(O)c(O)c(O)c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.79
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL2599158 0.88 HSP90AA1 (1.00) HSP90AA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8179362 0.81 HSP90AA1 (0.70) HSP90AA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10025575 0.77 HSP90AA1 (0.64) HSP90AA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27740 0.77 IDO1 (0.53) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL29648165 0.77 IDO1 (0.53) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL23912940 0.75 HSP90AA1 (0.62) HSP90AA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3208064 0.72 HSP90AA1 (0.58) HSP90AA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10585582 0.72 HSP90AA1 (0.53) HSP90AA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23066182 0.72 ALDH1A1 (0.68) HSP90AA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18068454 0.72 KDM4E (0.46) HSP90AA1ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 HSP90AA1 2413/4885GRIN2D 1504/4885GRIN3B 1351/4885

“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.