SCHEMBL1923217

SCHEMBL1923217

NC(=O)c1nnc(-c2cc3c(cc2O)OCCC3)n1-c1ccc2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HPGD P15428 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TGFBR1 P36897 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SHMT2 P34897 1/20 0.37
BRD9 Q9H8M2 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
STAT3 P40763 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35

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
SCHEMBL1923131 0.84 HSP90AA1 (0.35) ALDH1A1HPGDALOX15HSP90AA1HSP90AB1
SCHEMBL1864619 0.78 HSP90AA1 (0.44) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL1923144 0.78 GPR183 (0.37) ALDH1A1HPGDALOX15MAPK1KMT2A
SCHEMBL1923168 0.77 CYP11B2 (0.38) ALDH1A1HPGDALOX15HSD17B10TGFBR1
SCHEMBL1923039 0.77 MAPT (0.43) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL15287857 0.76 CSNK2A2 (0.39) ALDH1A1HPGDALOX15HSD17B10TGFBR1
SCHEMBL1923506 0.72 SMN1; SMN2 (0.35) ALDH1A1HPGDMEN1KMT2AHSP90AA1
SCHEMBL1305116 0.72 BRD9 (0.44) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL501054 0.70 POLQ (0.41) ALDH1A1HPGDALOX15LMNARAB9A
SCHEMBL1924364 0.69 MAPT (0.45) ALDH1A1HPGDALOX15HSD17B10MAPK1

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 14 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
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 ALDH1A1 2023/4885HPGD 325/4885ALOX15 3205/4885

“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.