SCHEMBL6748172

SCHEMBL6748172

O=c1[nH]nc(-c2ccccc2OCc2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.56
NOTUM Q6P988 7/20 0.52
SGMS2 Q8NHU3 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PPARG P37231 1/20 0.49
STAT3 P40763 1/20 0.49
NCOA2 Q15596 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
IDO1 P14902 1/20 0.47
MAOB P27338 1/20 0.44
PTGER1 P34995 1/20 0.44
MCL1 Q07820 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43

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
SCHEMBL10266678 0.80 NOTUM (0.55) NOTUMKDM4EALDH1A1PPARGSTAT3
SCHEMBL2492377 0.79 NOTUM (0.46) NOTUM
SCHEMBL29664535 0.78 ALDH1A1 (0.68) NOTUMKDM4EALDH1A1PPARGSTAT3
SCHEMBL18394492 0.78 ALDH1A1 (0.68) NOTUMKDM4EALDH1A1PPARGSTAT3
SCHEMBL7301708 0.78 NOTUM (0.62) NOTUMMAOB
SCHEMBL24548630 0.77 NOTUM (0.50) NOTUMKDM4EALDH1A1
SCHEMBL7454214 0.75 NOTUM (0.64) NOTUMKDM4EALDH1A1PPARGNCOA2
SCHEMBL29717244 0.74 NOTUM (0.49) NOTUM
SCHEMBL29009434 0.73 SGMS2 (0.55) BRD4SGMS2IDO1MAOBPTGER1
SCHEMBL30427902 0.73 SGMS2 (0.55) BRD4SGMS2IDO1MAOBPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRD4 177/4885NOTUM 3888/4885SGMS2 4585/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 BRD4 177/4885NOTUM 3888/4885SGMS2 4585/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 BRD4 177/4885NOTUM 3888/4885SGMS2 4585/4885

“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.