SCHEMBL1922580

SCHEMBL1922580

COc1ccc(-n2c(C(N)=O)nnc2-c2c(O)ccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SALL4 Q9UJQ4 1/20 0.40
STAT3 P40763 1/20 0.40
PSMD14 O00487 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL501058 0.78 MTNR1A (0.41) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL500686 0.78 NPC1 (0.41) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL1923133 0.77 ALDH1A1 (0.39) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL501641 0.75 L3MBTL1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL500741 0.74 ALPG (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL501148 0.74 OXTR (0.50) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL500776 0.73 ALPG (0.40) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL501275 0.73 ALPG (0.44) ALDH1A1MEN1KMT2AGLA
SCHEMBL500660 0.73 ALPG (0.46) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL501169 0.73 HSP90AA1 (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US claimed
EP-2328893-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2013-03-20 EP claimed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US claimed
EP-2328893-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-06-08 EP claimed
WO-2010017479-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2010-02-11 WO claimed
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US disclosed
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US disclosed
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US disclosed
EP-2328893-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2013-03-20 EP disclosed
EP-2328893-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2013-03-20 EP disclosed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US disclosed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US disclosed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US disclosed
EP-2328893-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-06-08 EP disclosed
WO-2010017479-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2010-02-11 WO disclosed
WO-2010017479-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS 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 (1 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-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 MAPK9 1373/4885MAPK14 1236/4885ALDH1A1 2023/4885

“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.