SCHEMBL1629193

SCHEMBL1629193

Cc1cccc(-n2nccc2-c2cc(Sc3ccccc3)c(O)cc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.43
HSP90AA1 P07900 4/20 0.40
MAPK14 Q16539 2/20 0.40
RPA1 P27694 1/20 0.38
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NT5E P21589 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
PTGER1 P34995 1/20 0.34
MDM2 Q00987 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL1630451 0.81 NR3C2 (0.39) NR3C2MAPK14RPA1KMT2AALDH1A1
SCHEMBL1630049 0.78 NR3C2 (0.46) NR3C2HSP90AA1MAPK14RPA1KDM5A
SCHEMBL1630532 0.77 HSP90AA1 (0.54) NR3C2HSP90AA1MAPK14KDM5AKDM4C
SCHEMBL1629166 0.75 NR3C2 (0.47) NR3C2HSP90AA1MAPK14RPA1NPC1
SCHEMBL13522940 0.75 HSP90AA1 (0.51) NR3C2HSP90AA1NPC1RAB9AKMT2A
SCHEMBL1629131 0.72 MAPK14 (0.43) NR3C2HSP90AA1MAPK14RPA1KDM5A
SCHEMBL12722866 0.69 HSP90AA1 (0.53) NR3C2HSP90AA1MAPK14RPA1KDM5A
SCHEMBL23399997 0.68 KMT2A (0.48) NR3C2HSP90AA1MAPK14RPA1NPC1
SCHEMBL1630304 0.68 MAPT (0.54) NR3C2HSP90AA1KMT2AALDH1A1MAPT
SCHEMBL10259070 0.68 ALDH1A1 (0.50) NR3C2MAPK14RPA1KMT2AALDH1A1

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
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP claimed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US claimed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US claimed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP claimed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 WO claimed
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 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 (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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P NR3C2 558/4885HSP90AA1 2/4885MAPK14 1929/4885

“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.