SCHEMBL5289356

SCHEMBL5289356

N#CCC(=O)N(C=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
HIF1A Q16665 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RGS12 O14924 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
GNAI1 P63096 1/20 0.39
PMP22 Q01453 1/20 0.39
ERCC1 P07992 2/20 0.37
ERCC4 Q92889 2/20 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
SCHEMBL6449075 0.80 MCL1 (0.46) SNCAKDM4ETDP1LMNAPOLB
SCHEMBL5289351 0.78 SNCA (0.41) SNCAHIF1AHSD17B10KDM4ETSHR
SCHEMBL3436878 0.67 MCL1 (0.61) ERCC1ERCC4
SCHEMBL1465493 0.65 CA1 (0.56) SNCAHIF1AHSD17B10KDM4ETSHR
SCHEMBL108110 0.64 CA1 (0.61) SNCAHIF1AHSD17B10KDM4ETSHR
SCHEMBL13799026 0.63 KDM4E (0.60) SNCAHIF1AHSD17B10KDM4ETSHR
SCHEMBL6213492 0.63 KDM4E (0.50) HIF1AHSD17B10KDM4ETDP1RGS12
SCHEMBL31387692 0.63 KDM4E (0.50) HIF1AHSD17B10KDM4ETDP1RGS12
SCHEMBL30323320 0.63 IGF1R (0.56) HIF1AHSD17B10KDM4ETSHRNFKB1
SCHEMBL29929036 0.63 XDH (0.65) SNCAHIF1AHSD17B10KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006143-A1 COMPOSITIONS AND METHODS FOR DETECTING TRANSFORMED CELLS THE HOSPITAL FOR SICK CHILDREN (CA) 2007-01-18 WO disclosed
US-20050014690-A1 Styryl acrylonitrile compounds and their use to promote myelopoiesis THE HOSPITAL FOR SICK CHILDREN (CA) 2005-01-20 US disclosed
EP-1453500-A1 STYRYL ACRYLONITRILE COMPOUNDS AND THEIR USE TO PROMOTE MYELOPOIESIS THE HOSPITAL FOR SICK CHILDREN (CA) 2004-09-08 EP disclosed
WO-2003030895-A1 STYRYL ACRYLONITRILE COMPOUNDS AND THEIR USE TO PROMOTE MYELOPOIESIS THE HOSPITAL FOR SICK CHILDREN (CA) 2003-04-17 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-20050014690-A1 Styryl acrylonitrile compounds and their use to promote myelopoiesis MCL1, MYD88, MYADM SNCA 2641/4885HIF1A 1994/4885HSD17B10 712/4885

“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.