SCHEMBL1628982

SCHEMBL1628982

COc1ccc(-c2ccnn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TLR9 Q9NR96 1/20 0.44
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ABCC1 P33527 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPN11 Q06124 1/20 0.40
NR3C2 P08235 1/20 0.40

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
SCHEMBL1629198 0.88 MAPT (0.47) MAPTKMT2AMEN1ABCG2NPC1
SCHEMBL1629833 0.83 POLB (0.40) MAPTKMT2AMEN1HTT
SCHEMBL1629692 0.82 MAPT (0.52) MAPTTLR9NPSR1LMNAKDM4E
SCHEMBL15559248 0.82 APP (0.51) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL12722760 0.81 MAPT (0.51) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL1630485 0.77 MAPT (0.49) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL1629144 0.76 PIK3CD (0.49) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL16442402 0.76 HTT (0.51) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL10169410 0.76 APP (0.55) MAPTTLR9KMT2AMEN1NPC1
SCHEMBL1628989 0.75 ADORA3 (0.50) MAPTKMT2AMEN1NPSR1LMNA

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 9 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-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
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP disclosed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P MAPT 2299/4885TLR9 4235/4885KMT2A 4362/4885

“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.