SCHEMBL448654

SCHEMBL448654

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccc([N+](=O)[O-])cc1)C(=S)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 8/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
PTGES O14684 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL13042521 0.85 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1POLBKMT2A
SCHEMBL15621595 0.84 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1PKMPOLB
SCHEMBL12808835 0.80 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1POLBKMT2A
SCHEMBL13042582 0.79 MAPK1 (0.50) HSP90AA1HSP90AB1ALDH1A1POLBKMT2A
SCHEMBL446362 0.77 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1POLBKMT2A
SCHEMBL445596 0.76 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL445821 0.76 MAPT (0.48) HSP90AA1HSP90AB1ALDH1A1ATMPKM
SCHEMBL448878 0.76 HSP90AA1 (0.45) HSP90AA1HSP90AB1KMT2AHPGDHSD11B1
SCHEMBL451123 0.75 HSP90AA1 (0.50) HSP90AA1HSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL446586 0.74 KMT2A (0.44) HSP90AA1HSP90AB1ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 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 (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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA HSP90AA1 2300/4885HSP90AB1 1711/4885ALDH1A1 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.