SCHEMBL2813236

SCHEMBL2813236

OCc1ccc(-c2nnc(S)n2-c2cccc3ccccc23)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NOTUM Q6P988 1/20 0.39
HPGD P15428 3/20 0.37
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 3/20 0.34
AKT1 P31749 2/20 0.34
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
GSK3B P49841 2/20 0.32
GSK3A P49840 1/20 0.32
TTR P02766 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PHGDH O43175 1/20 0.31

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
SCHEMBL930617 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1HPGDALDH1A1HTT
SCHEMBL930854 0.85 NOTUM (0.40) HSP90AA1HSP90AB1NOTUMHPGDTLR8
SCHEMBL930024 0.84 CYP1A2 (0.40) HSP90AA1HSP90AB1NOTUMHPGDTLR8
SCHEMBL930668 0.83 HPGD (0.43) HSP90AA1HSP90AB1NOTUMHPGDTLR8
SCHEMBL930856 0.83 HSP90AA1 (0.39) HSP90AA1HSP90AB1NOTUMHPGDTLR8
SCHEMBL931360 0.83 ALDH1A1 (0.41) HSP90AA1HSP90AB1NOTUMHPGDTLR8
SCHEMBL931500 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1NOTUMHPGDTLR8
SCHEMBL3703686 0.81 HPGD (0.38) HSP90AA1HSP90AB1NOTUMHPGDTLR8
SCHEMBL930819 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1HPGDALDH1A1KDM4E
SCHEMBL931271 0.80 HPGD (0.39) HSP90AA1HSP90AB1NOTUMHPGDTLR8

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
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8993608-B2 Method for inhibiting topoisomerase II SYNTA PHARMACEUTICALS CORP. (US) 2015-03-31 US disclosed
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 US 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 (2 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-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 HSP90AA1 8/4885HSP90AB1 6/4885NOTUM 2341/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 HSP90AA1 8/4885HSP90AB1 6/4885NOTUM 2341/4885

“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.