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SCHEMBL500951

SCHEMBL500951

CCN(CC)c1ccc(-n2c(C(=O)NC(C)C)nnc2-c2cc(C(C)C)c(OC)cc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 11/20 0.42
▸ HSP90AB1 P08238 11/20 0.42
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34

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
SCHEMBL500960 0.86 ALDH1A1 (0.40) HSP90AA1HSP90AB1ALDH1A1MAPTHTT
SCHEMBL15107012 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL501494 0.84 POLB (0.43) HSP90AA1HSP90AB1ALDH1A1MAPTNPSR1
SCHEMBL16689407 0.84 HSP90AB1 (0.37) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL501321 0.83 POLB (0.49) HSP90AA1HSP90AB1MAPTHTTGFER
SCHEMBL501184 0.83 HSP90AB1 (0.42) HSP90AA1HSP90AB1ALDH1A1MAPTTSHR
SCHEMBL500940 0.82 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL501055 0.82 HSP90AA1 (0.45) HSP90AA1HSP90AB1LMNA
SCHEMBL500954 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1MAPTHTT
SCHEMBL501329 0.82 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1NPSR1LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 — — US claimed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 — — US claimed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 — — US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 — — US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 — — US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 — — US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 — — US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 — — US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 — — US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 — — US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 — — US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 — — US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 — — US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 — — US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 — — US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 — — US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 — — US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 — — US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 — — US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 — — 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 (4 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 2145/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 2145/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 2145/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 2145/4885

“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.