SCHEMBL1628844

SCHEMBL1628844

COc1ccc(-c2ccnn2-c2ccc(Br)cc2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NR3C2 P08235 1/20 0.43
NPBWR1 P48145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NOTUM Q6P988 1/20 0.42
PTGS2 P35354 1/20 0.41
PTPN1 P18031 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
IDH1 O75874 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
ESR1 P03372 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL1629669 0.92 MAPT (0.60) MAPTNR3C2NPSR1NOTUMPTPN1
SCHEMBL1629194 0.88 MAPT (0.53) MAPTNR3C2NPBWR1NPSR1NOTUM
SCHEMBL1629558 0.87 MAPT (0.52) MAPTNR3C2NPSR1NOTUMPTGS2
SCHEMBL1630221 0.87 MAPT (0.58) MAPTNR3C2NPBWR1NPSR1NOTUM
SCHEMBL1630238 0.86 MAPT (0.51) MAPTNR3C2NPSR1NOTUMPTPN1
SCHEMBL1630373 0.85 MEN1 (0.40) MAPTNPC1ALDH1A1ATMESR1
SCHEMBL1630086 0.84 NPSR1 (0.52) MAPTNPBWR1NPSR1NOTUMPTPN1
SCHEMBL1629728 0.84 MAPT (0.49) MAPTNR3C2NPSR1ALDH1A1TP53
SCHEMBL1629700 0.84 MAPT (0.49) MAPTNR3C2NPSR1NOTUMNPC1
SCHEMBL1629011 0.84 MAPT (0.49) MAPTNR3C2NPBWR1NPSR1NOTUM

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 2299/4885NR3C2 558/4885NPBWR1 2342/4885

“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.