SCHEMBL1629669

SCHEMBL1629669

COc1ccc(-n2nccc2-c2ccc(OC)cc2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
NR3C2 P08235 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
NOTUM Q6P988 1/20 0.46
ESR1 P03372 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GFER P55789 1/20 0.42
IDH1 O75874 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
PTPN1 P18031 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
SCHEMBL1629194 0.93 MAPT (0.53) MAPTNR3C2NPSR1NOTUMESR1
SCHEMBL1630221 0.92 MAPT (0.58) MAPTNR3C2NPSR1NOTUMNPC1
SCHEMBL1629558 0.92 MAPT (0.52) MAPTNR3C2NPSR1NOTUMNPC1
SCHEMBL1628844 0.92 MAPT (0.52) MAPTNR3C2NPSR1NOTUMESR1
SCHEMBL1630238 0.92 MAPT (0.51) MAPTNR3C2NPSR1NOTUMNPC1
SCHEMBL1631424 0.89 MAPT (0.55) MAPTNR3C2NPSR1NPC1ALDH1A1
SCHEMBL1630086 0.89 NPSR1 (0.52) MAPTNPSR1NOTUMNPC1ALDH1A1
SCHEMBL1629700 0.88 MAPT (0.49) MAPTNR3C2NPSR1NOTUMNPC1
SCHEMBL1629728 0.88 MAPT (0.49) MAPTNR3C2NPSR1ALDH1A1KMT2A
SCHEMBL1629011 0.88 MAPT (0.49) MAPTNR3C2NPSR1NOTUMALDH1A1

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 7 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-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 558/4885NPSR1 2769/4885

“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.