SCHEMBL6747133

SCHEMBL6747133

CC(C)c1cc(-c2nnc(O)n2Cc2ccc(OCCN3CCN(C)CC3)cc2)c(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
HSP90AA1 P07900 5/20 0.42
HSP90AB1 P08238 4/20 0.42
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ESR1 P03372 5/20 0.40
HSP90B1 P14625 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6747027 0.91 HRH3 (0.42) LTA4HHSP90AA1HSP90AB1HRH3KDM4E
SCHEMBL3999468 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1HSP90B1
SCHEMBL3995163 0.88 ESR1 (0.43) LTA4HHRH3TLR7ESR1
SCHEMBL6747037 0.85 ALDH1A1 (0.41) HSP90AA1HSP90AB1HRH3KDM4EESR1
SCHEMBL6747435 0.83 HSP90AB1 (0.41) LTA4HHSP90AA1HSP90AB1HRH3KDM4E
SCHEMBL6747300 0.83 DRD3 (0.44) HSP90AA1HSP90AB1KDM4ENPC1
SCHEMBL6747087 0.82 MEN1 (0.49) LTA4HHSP90AA1HSP90AB1HRH3ESR1
SCHEMBL6747600 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1HRH3KDM4EESR1
SCHEMBL6747110 0.81 HSP90AA1 (0.58) HSP90AA1HSP90AB1KDM4EHSP90B1TP53
SCHEMBL6746992 0.81 HRH3 (0.47) HRH3KDM4EESR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038262-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-11-12 EP disclosed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139968-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 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 (3 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-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 LTA4H 3338/4885HSP90AA1 3/4885HSP90AB1 1/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LTA4H 3338/4885HSP90AA1 3/4885HSP90AB1 1/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LTA4H 3338/4885HSP90AA1 3/4885HSP90AB1 1/4885

“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.