SCHEMBL1343353

SCHEMBL1343353

O=C(c1ccccc1)c1cccc(-c2c(S)nnn2-c2ccc(O)cc2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 5/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 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
SCHEMBL1147867 0.86 DHODH (0.38) MEN1KMT2AHSD17B1HSD17B2CYP3A4
SCHEMBL1148350 0.86 ALOX5 (0.41) MEN1KMT2AGAARAB9ANPC1
SCHEMBL1148468 0.80 MEN1 (0.39) MEN1KMT2AUSP2GAARAB9A
SCHEMBL1148485 0.80 ESR2 (0.41) RAB9ANPC1HSD17B1HSD17B2MAPT
SCHEMBL1148326 0.80 ALOX5 (0.37) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1148629 0.79 ALOX5 (0.44) KMT2AALDH1A1
SCHEMBL1148452 0.78 ESR2 (0.42) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL1148299 0.77 MAPT (0.39) MEN1KMT2AGAARAB9ANPC1
SCHEMBL1148335 0.73 MEN1 (0.37) MEN1KMT2AGAARAB9ANPC1
SCHEMBL1148495 0.73 APP (0.35) RAB9ANPC1HSD17B1HSD17B2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US claimed
EP-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP claimed
US-7825148-B2 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 SYNTA PHARMACEUTICALS CORP. (US) 2010-11-02 US claimed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US claimed
EP-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
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 claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US 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-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
WO-2008112199-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. (US) 2008-09-18 WO disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 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
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 (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 MEN1 4697/4885KMT2A 3399/4885USP2 995/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P MEN1 4827/4885KMT2A 4492/4885USP2 2289/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 MEN1 4169/4885KMT2A 2201/4885USP2 480/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 MEN1 4212/4885KMT2A 3417/4885USP2 1053/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 MEN1 4212/4885KMT2A 3417/4885USP2 1053/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 MEN1 4527/4885KMT2A 892/4885USP2 2052/4885
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 MEN1 4120/4885KMT2A 3623/4885USP2 735/4885

“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.