SCHEMBL6748166

SCHEMBL6748166

NNC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 6/20 0.72
NPC1 O15118 1/20 0.68
GAA P10253 1/20 0.67
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.60
CTSD P07339 1/20 0.60
FAAH O00519 1/20 0.59
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
RAB9A P51151 1/20 0.57

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
SCHEMBL3142769 0.89 KMT2A (0.72) SGMS2NPC1KMT2AMEN1LMNA
SCHEMBL23611714 0.89 SGMS2 (0.58) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL29930939 0.89 SGMS2 (0.58) SGMS2NPC1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL2451523 0.88 KMT2A (0.71) SGMS2NPC1KMT2AMEN1LMNA
SCHEMBL1346595 0.88 SGMS2 (0.58) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL974381 0.87 SGMS2 (0.72) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL22568217 0.87 NPC1 (0.56) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL28731423 0.86 HDAC6 (0.57) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL14428116 0.85 SGMS2 (0.75) SGMS2NPC1GAAKMT2AMEN1
SCHEMBL22568219 0.84 MCL1 (0.57) SGMS2NPC1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008017-A Covalent organic frameworks and methods of making and using same 新加坡国立大学 2022-02-01 CN claimed
US-20220306812-A1 COVALENT ORGANIC FRAMEWORK AND METHODS OF FABRICATION AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-09-29 US disclosed
CN-114008017-A Covalent organic frameworks and methods of making and using same 新加坡国立大学 2022-02-01 CN 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-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-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US 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 SGMS2 4585/4885NPC1 1235/4885GAA 1052/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 SGMS2 4585/4885NPC1 1235/4885GAA 1052/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 SGMS2 4585/4885NPC1 1235/4885GAA 1052/4885

“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.