SCHEMBL459201

SCHEMBL459201

C=CCNC1=CC(=O)C(=O)c2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.51
TDP2 O95551 4/20 0.51
PAX8 Q06710 2/20 0.51
S100A4 P26447 6/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GUCY1B2 O75343 1/20 0.48
MAPT P10636 1/20 0.48
GUCY1A2 P33402 1/20 0.48
GUCY1A1 Q02108 1/20 0.48
GUCY1B1 Q02153 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABL1 P00519 1/20 0.46
PLCG1 P19174 1/20 0.46
CES1 P23141 1/20 0.46
RIN1 Q13671 1/20 0.46
GAA P10253 1/20 0.46
BLM P54132 2/20 0.44

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
SCHEMBL10509896 0.91 KMT2A (0.58) NSD2TDP2PAX8S100A4KMT2A
SCHEMBL30587670 0.77 MAOA (0.58) NSD2TDP2PAX8KMT2AMEN1
SCHEMBL2531942 0.77 MAOA (0.58) NSD2TDP2PAX8KMT2AMEN1
SCHEMBL458428 0.75 S100A4 (0.68) NSD2TDP2PAX8S100A4KMT2A
SCHEMBL31238099 0.74 MEN1 (0.78) NSD2TDP2PAX8S100A4KMT2A
SCHEMBL459004 0.68 NSD2 (1.00) NSD2TDP2PAX8S100A4KMT2A
SCHEMBL29551149 0.66 GAA (1.00) NSD2TDP2PAX8S100A4KMT2A
SCHEMBL30774319 0.66 GAA (1.00) NSD2TDP2PAX8S100A4KMT2A
SCHEMBL29419580 0.66 TDP2 (1.00) NSD2TDP2PAX8S100A4KMT2A
SCHEMBL5915065 0.66 TDP2 (0.81) NSD2TDP2PAX8S100A4KMT2A

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
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US claimed
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 WO claimed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 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-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P NSD2 4199/4885TDP2 707/4885PAX8 4091/4885

“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.