SCHEMBL449306

SCHEMBL449306

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1cnccn1)C(=S)c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
POLB P06746 1/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 4/20 0.36
NAPRT Q6XQN6 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
MC3R P41968 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL450180 0.92 HSP90AA1 (0.51) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL449439 0.92 HSP90AA1 (0.51) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL451077 0.90 POLB (0.37) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL445921 0.80 HSP90AA1 (0.49) KDM4EGAAALDH1A1RAB9AHCAR2
SCHEMBL2471081 0.79 POLB (0.37) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL451434 0.78 HSP90AA1 (0.54) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL10228912 0.78 HSP90AA1 (0.54) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL450425 0.77 HSP90AA1 (0.55) KDM4EGAAALDH1A1MAPTHCAR2
SCHEMBL446377 0.77 HSP90AA1 (0.55) KDM4EGAAALDH1A1MAPTHCAR2
SCHEMBL445596 0.75 HSP90AA1 (0.59) KDM4EGAAALDH1A1MAPTHSP90AA1

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-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
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
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 KDM4E 3417/4885POLB 92/4885GAA 395/4885

“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.