SCHEMBL4566970

SCHEMBL4566970

Oc1cc(O)c(-c2n[nH]c(=S)n2-c2cccc3ccccc23)cc1-c1ccco1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
HPGD P15428 6/20 0.74
POLB P06746 5/20 0.74
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
GAA P10253 3/20 0.67
USP2 O75604 1/20 0.67
BLM P54132 1/20 0.67
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
KDM4E B2RXH2 7/20 0.53
APOBEC3G Q9HC16 2/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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 0.85 HSP90AA1 (0.62) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL4566969 0.84 HSP90AA1 (0.58) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL8930669 0.82 HSP90AA1 (0.62) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL8930147 0.80 HSP90AA1 (0.64) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL8930897 0.79 HSP90AA1 (0.69) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL3711709 0.79 ALDH1A1 (0.47) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL8930611 0.79 HSP90AA1 (0.61) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL8930850 0.79 HSP90AA1 (0.58) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL8931074 0.79 HSP90AA1 (0.63) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL8930913 0.78 HSP90AA1 (0.60) ALDH1A1HPGDPOLBMEN1KMT2A

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 ALDH1A1 2716/4885HPGD 646/4885POLB 2404/4885
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 ALDH1A1 2241/4885HPGD 707/4885POLB 2825/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885HPGD 689/4885POLB 1635/4885

“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.