SCHEMBL8930677

SCHEMBL8930677

O=C(c1ccccc1)c1cccc(-n2c(-c3ccc(O)cc3O)n[nH]c2=S)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
STAT3 P40763 1/20 0.54
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 5/20 0.46
HSP90AB1 P08238 1/20 0.45
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
GFER P55789 2/20 0.43
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43

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
SCHEMBL12180082 0.87 HPGD (0.54) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8930945 0.86 ALDH1A1 (0.62) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8931077 0.84 ALDH1A1 (0.58) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8930379 0.82 MAPT (0.60) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8930350 0.81 HPGD (0.62) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8930451 0.80 HPGD (0.60) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8930405 0.78 KDM4E (0.69) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL14344600 0.78 KDM4E (0.69) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8930515 0.78 MAPT (0.63) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL930059 0.77 MEN1 (0.42) KDM4EALDH1A1LMNATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8969396-B2 Method for treating a B-raf associated cancer with an Hsp90 inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-03-03 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 HPGD 561/4885KDM4E 2835/4885ALDH1A1 246/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 HPGD 2124/4885KDM4E 2879/4885ALDH1A1 1385/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HPGD 202/4885KDM4E 3814/4885ALDH1A1 2496/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 HPGD 210/4885KDM4E 2790/4885ALDH1A1 1036/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P HPGD 498/4885KDM4E 4422/4885ALDH1A1 2514/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 HPGD 534/4885KDM4E 3500/4885ALDH1A1 2231/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 HPGD 2124/4885KDM4E 2879/4885ALDH1A1 1385/4885

“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.