SCHEMBL930752

SCHEMBL930752

Cc1ccc(-c2c(S)nnn2-c2ccccc2O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 3/20 0.40
KCNN4 O15554 1/20 0.38
KMT2A Q03164 5/20 0.35
TP53 P04637 4/20 0.35
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX15 P16050 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1148715 0.86 ESR1 (0.36) KMT2ATP53MEN1ALDH1A1TDP1
SCHEMBL1148472 0.81 KCNMA1 (0.48) KCNMA1NPC1RAB9ALMNAKCNN4
SCHEMBL1147862 0.77 HSP90AA1 (0.38) KCNMA1NPC1RAB9ALMNAKCNN4
SCHEMBL1148619 0.75 KCNN4 (0.58) KCNMA1LMNAKCNN4KMT2ATP53
SCHEMBL1148530 0.75 CNR1 (0.35) KMT2AMEN1HPGDTSHRALDH1A1
SCHEMBL1148437 0.74 ESR1 (0.37) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1148311 0.74 KCNMA1 (0.46) KCNMA1NPC1RAB9AKCNN4KMT2A
SCHEMBL3972617 0.73 NPC1 (0.38) NPC1RAB9AKMT2ATP53MEN1
SCHEMBL1148519 0.73 KCNMA1 (0.48) KCNMA1NPC1RAB9AKCNN4NPSR1
SCHEMBL1148593 0.70 MGAM (0.36) KCNMA1LMNAKMT2AMEN1SMN1; SMN2

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 54 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 claimed
US-20120330009-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2012-12-27 US claimed
EP-2295416-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-16 EP claimed
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-01-13 US 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-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-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 US disclosed
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP disclosed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 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
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 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 (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-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 KCNMA1 4665/4885NPC1 2926/4885RAB9A 4216/4885
US-20120330009-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 KCNMA1 4784/4885NPC1 1235/4885RAB9A 3324/4885
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 KCNMA1 4730/4885NPC1 1575/4885RAB9A 3792/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 KCNMA1 4633/4885NPC1 554/4885RAB9A 3565/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 KCNMA1 3873/4885NPC1 1785/4885RAB9A 4236/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 KCNMA1 3873/4885NPC1 1785/4885RAB9A 4236/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 KCNMA1 3551/4885NPC1 1322/4885RAB9A 1686/4885
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 KCNMA1 4805/4885NPC1 1229/4885RAB9A 3937/4885

“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.