SCHEMBL1148468

SCHEMBL1148468

Cc1cccc(-c2c(S)nnn2-c2ccc(O)cc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.36
MAOB P27338 2/20 0.33
HPGD P15428 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
AOC1 P19801 1/20 0.33
MDM2 Q00987 1/20 0.33
GAA P10253 1/20 0.33
QPCT Q16769 1/20 0.33
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.32

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) MEN1KMT2A
SCHEMBL1147781 0.86 ESR1 (0.35) ACHECA9CYP1A2CYP2C19
SCHEMBL1148350 0.85 ALOX5 (0.41) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL1148326 0.85 ALOX5 (0.37) MEN1KMT2AALDH1A1MAOBCA12
SCHEMBL1148485 0.85 ESR2 (0.41) ALDH1A1MAOBKDM4ELMNANPC1
SCHEMBL1148299 0.84 MAPT (0.39) MEN1KMT2AALDH1A1CYP2C19KDM4E
SCHEMBL1148441 0.82 MGAM (0.36) MAOBCYP1A2CYP2C19GAAMAOA
SCHEMBL1343353 0.80 MEN1 (0.40) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL1148452 0.80 ESR2 (0.42) CYP1A2CYP2C19
SCHEMBL1148715 0.80 ESR1 (0.36) MEN1KMT2AALDH1A1GAA

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
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2010-10-28 US disclosed
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 US 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

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

For each of this compound's patents that has machine-readable text (9 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 3399/4885POLB 2729/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P MEN1 4827/4885KMT2A 4492/4885POLB 2089/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 MEN1 4169/4885KMT2A 2201/4885POLB 2204/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 MEN1 4029/4885KMT2A 1975/4885POLB 74/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 MEN1 4212/4885KMT2A 3417/4885POLB 3225/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 MEN1 4212/4885KMT2A 3417/4885POLB 3225/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 MEN1 427/4885KMT2A 1654/4885POLB 730/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 MEN1 4527/4885KMT2A 892/4885POLB 1687/4885
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 3623/4885POLB 2515/4885

“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.