SCHEMBL8931026

SCHEMBL8931026

COc1ccc(-n2c(-c3ccccc3OC)n[nH]c2=S)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.85
ALDH1A1 P00352 6/20 0.85
HPGD P15428 5/20 0.85
APOBEC3G Q9HC16 3/20 0.85
HSD17B10 Q99714 2/20 0.85
GFER P55789 2/20 0.85
LMNA P02545 1/20 0.85
PRNP P04156 1/20 0.85
PPARG P37231 1/20 0.85
NCOA2 Q15596 1/20 0.85
NCOA1 Q15788 1/20 0.85
SMN1; SMN2 Q16637 1/20 0.85
RXFP1 Q9HBX9 1/20 0.85
HTT P42858 2/20 0.61
CUL4A Q13619 1/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.60
GAA P10253 5/20 0.58
KMT2A Q03164 3/20 0.58
CYP3A4 P08684 1/20 0.55

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
SCHEMBL4626807 0.92 HPGD (0.85) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL8978592 0.92 KDM4E (1.00) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL14345075 0.85 KDM4E (0.62) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL7691829 0.80 HPGD (0.91) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL8978622 0.79 HPGD (0.79) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL28911095 0.77 KDM4E (0.71) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL8930409 0.76 KDM4E (0.73) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL13983416 0.76 ALDH1A1 (0.71) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL13983077 0.75 KDM4E (0.61) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL8978530 0.75 GFER (0.74) KDM4EALDH1A1HPGDAPOBEC3GHSD17B10

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139960-A2 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING 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 (6 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-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 2835/4885ALDH1A1 246/4885HPGD 561/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 2879/4885ALDH1A1 1385/4885HPGD 2124/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 2790/4885ALDH1A1 1036/4885HPGD 210/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 4422/4885ALDH1A1 2514/4885HPGD 498/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 KDM4E 3500/4885ALDH1A1 2231/4885HPGD 534/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 2879/4885ALDH1A1 1385/4885HPGD 2124/4885

“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.