SCHEMBL930248

SCHEMBL930248

CN(C)C(=O)Oc1ccc(-c2nnc(SC(=O)N(C)C)n2-c2cccc3ccccc23)c(OC(=O)N(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 13/20 0.42
LMNA P02545 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
TLR8 Q9NR97 1/20 0.36
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL931319 0.89 LMNA (0.37) NCEH1LMNARAB9A
SCHEMBL1304824 0.89 NCEH1 (0.40) NCEH1LMNAFNTAFNTBTLR8
SCHEMBL12046982 0.83 NCEH1 (0.37) NCEH1LMNATLR8ALDH1A1HSD17B10
SCHEMBL931013 0.82 FNTA (0.39) LMNAFNTAFNTBTLR8ALDH1A1
SCHEMBL930634 0.82 TLR8 (0.39) LMNATLR8ALDH1A1HSD17B10
SCHEMBL930249 0.81 NCEH1 (0.42) NCEH1LMNAFNTAFNTBPDK2
SCHEMBL930827 0.80 FNTA (0.38) LMNAFNTAFNTBTLR8ALDH1A1
SCHEMBL16772874 0.79 FNTA (0.39) LMNAFNTAFNTBTLR8ALDH1A1
SCHEMBL930095 0.79 FAAH (0.36) LMNAFNTAFNTBTLR8ALDH1A1
SCHEMBL930904 0.78 ALDH1A1 (0.40) LMNAFNTAFNTBTLR8ALDH1A1

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 110 patents — showing the first 20. 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 claimed
US-8053456-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2011-11-08 US claimed
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections SYNTA PHARMACEUTICALS CORP 2008-07-24 US claimed
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 claimed
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
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 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
WO-2007139967-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-07-27 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 (8 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-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 NCEH1 3533/4885LMNA 4697/4885FNTA 2263/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 NCEH1 2454/4885LMNA 4005/4885FNTA 1640/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 NCEH1 228/4885LMNA 2368/4885FNTA 1608/4885
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections HSP90AB1, HSP90AB2P, HSP90B1 NCEH1 2861/4885LMNA 4410/4885FNTA 1478/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 NCEH1 1844/4885LMNA 3938/4885FNTA 1281/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 NCEH1 1220/4885LMNA 3947/4885FNTA 2539/4885
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 NCEH1 2454/4885LMNA 4005/4885FNTA 1640/4885
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer HSP90AB1, HSP90AB2P, HSP90AA1 NCEH1 2411/4885LMNA 3881/4885FNTA 1734/4885

“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.