SCHEMBL4566969

SCHEMBL4566969

Oc1cc(O)c(-c2n[nH]c(=S)n2-c2cccc3ccccc23)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
ALDH1A1 P00352 9/20 0.55
HPGD P15428 8/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.50
BLM P54132 1/20 0.50
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 4/20 0.44
APOBEC3G Q9HC16 2/20 0.44
GLA P06280 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL8931103 0.90 HSP90AA1 (0.62) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930669 0.87 HSP90AA1 (0.62) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930913 0.85 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930147 0.84 HSP90AA1 (0.64) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL4566970 0.84 ALDH1A1 (0.74) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930897 0.83 HSP90AA1 (0.69) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930900 0.83 HSP90AA1 (0.56) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930850 0.83 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930611 0.83 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8931074 0.83 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 US disclosed
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 US disclosed
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 US disclosed
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 US disclosed
US-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 US disclosed
US-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 US disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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 (3 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-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, CDC37 HSP90AA1 4/4885HSP90AB1 1/4885ALDH1A1 2716/4885
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALDH1A1 2241/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 2165/4885

“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.