SCHEMBL1924364

SCHEMBL1924364

COc1ccc(-n2c(C(N)=O)nnc2-c2cc3c(cc2O)CCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
ALPG P10696 2/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1922971 0.87 MAPKAPK2 (0.39) MAPTLMNAHTTTDP1NPC1
SCHEMBL1923017 0.87 HSD17B10 (0.42) MAPTLMNAHTTTDP1NPC1
SCHEMBL1923131 0.87 HSP90AA1 (0.35) MAPTLMNAHTTTDP1NPC1
SCHEMBL1923144 0.85 GPR183 (0.37) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL1922907 0.85 ALDH1A1 (0.37) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL1923489 0.85 RYR2 (0.37) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL1922902 0.85 MAPT (0.38) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL1923547 0.84 POLB (0.39) MAPTLMNANPC1ALDH1A1HPGD
SCHEMBL12255445 0.84 RYR2 (0.36) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL501275 0.83 ALPG (0.44) NPC1HSP90AA1ALDH1A1HPGDALPG

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 MAPT 2733/4885LMNA 4222/4885HTT 1005/4885

“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.