SCHEMBL1148433

SCHEMBL1148433

CCCCc1ccc(-c2c(S)nnn2-c2ccc(O)cc2O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TYR P14679 2/20 0.36
SKP2 Q13309 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.33
ESR1 P03372 3/20 0.33
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 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
SCHEMBL3972617 0.84 NPC1 (0.38) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL1148715 0.82 ESR1 (0.36) TP53GAAESR1MEN1MAPT
SCHEMBL1148530 0.81 CNR1 (0.35) GAAHPGDESR1MEN1MAPT
SCHEMBL1148437 0.80 ESR1 (0.37) NPC1RAB9AGAAESR1MEN1
SCHEMBL1148535 0.79 TYR (0.32) TYR
SCHEMBL1147862 0.79 HSP90AA1 (0.38) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL1147763 0.77 TYR (0.44) NPC1RAB9ATP53MAPK1GAA
SCHEMBL931738 0.75 NPC1 (0.40) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL1148593 0.74 MGAM (0.36) SMN1; SMN2GAATYRCYP1A2CYP2C19
SCHEMBL1147749 0.73 HSP90AA1 (0.41) TP53MAPTKMT2A

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 34 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
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-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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
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 (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-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P NPC1 2073/4885RAB9A 3603/4885TP53 695/4885
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 NPC1 2926/4885RAB9A 4216/4885TP53 134/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P NPC1 1129/4885RAB9A 3621/4885TP53 354/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 NPC1 554/4885RAB9A 3565/4885TP53 275/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 NPC1 2926/4885RAB9A 4216/4885TP53 134/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 NPC1 1785/4885RAB9A 4236/4885TP53 4591/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 NPC1 1322/4885RAB9A 1686/4885TP53 13/4885
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 NPC1 1229/4885RAB9A 3937/4885TP53 27/4885

“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.