SCHEMBL6747282

SCHEMBL6747282

CC(C)c1cc(-c2nnc(S)n2C(=O)c2ccc(OCCN3CCN(C)CC3)cc2)c(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.43
DRD2 P14416 5/20 0.43
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 2/20 0.42
KCNA5 P22460 5/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL6747300 0.91 DRD3 (0.44) DRD3DRD2HSP90AA1HSP90AB1KCNA5
SCHEMBL3993026 0.90 DRD3 (0.42) DRD3DRD2KCNA5KDM4EALDH1A1
SCHEMBL6747027 0.83 HRH3 (0.42) HSP90AA1HSP90AB1KDM4E
SCHEMBL6747601 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL6747460 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL6747191 0.81 HSP90AB1 (0.46) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL3992523 0.81 DRD3 (0.43) DRD3DRD2KCNA5KDM4EALDH1A1
SCHEMBL6747133 0.78 LTA4H (0.43) HSP90AA1HSP90AB1KDM4ENPC1
SCHEMBL6747037 0.77 ALDH1A1 (0.41) DRD3DRD2HSP90AA1HSP90AB1KDM4E
SCHEMBL6747600 0.77 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD3 4374/4885DRD2 4698/4885HSP90AA1 3/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 DRD3 4374/4885DRD2 4698/4885HSP90AA1 3/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 DRD3 4374/4885DRD2 4698/4885HSP90AA1 3/4885

“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.