SCHEMBL439012

SCHEMBL439012

CN(C(=O)CC(=O)N(C)N(C)C(=S)c1ccccc1)N(C)C(=S)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.57
HSP90AB1 P08238 1/20 0.57
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 2/20 0.40
TSHR P16473 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
SCHEMBL12192283 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL13547967 0.83 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL12192289 0.77 HSP90AA1 (0.53) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
Elesclomol SCHEMBL313745 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL12192273 0.73 HSP90AA1 (0.56) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL439018 0.72 HSP90AA1 (0.69) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL10391288 0.72 ALDH1A1 (0.55) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL12808730 0.72 HSP90AA1 (0.74) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL13380813 0.72 HSP90AA1 (0.74) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
Elesclomol SCHEMBL2819576 0.71 HSP90AA1 (0.97) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A

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-20140342999-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2014-11-20 US disclosed
US-8729111-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
WO-2013071106-A1 ADMINISTRATION OF A BIS(THIOHYDRAZIDE AMIDE) COMPOUND FOR TREATING CANCERS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-16 WO disclosed
US-20120065235-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 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 (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-20120065235-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 HSP90AA1 6/4885HSP90AB1 1/4885MAPT 1817/4885
US-20140342999-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 HSP90AA1 6/4885HSP90AB1 1/4885MAPT 1817/4885

“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.