SCHEMBL1630476

SCHEMBL1630476

COc1ccc(-c2ccnn2-c2ccccc2[N+](=O)[O-])c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
PIK3CD O00329 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL1631441 0.87 HSP90AA1 (0.43) MAPTKMT2AGAAHPGDRAB9A
SCHEMBL1631446 0.83 ALDH1A1 (0.41) MAPTKMT2AGAAALDH1A1KDM4E
SCHEMBL1628858 0.83 GAA (0.51) MAPTKMT2AGAAHPGDALDH1A1
SCHEMBL1629689 0.81 HSP90AA1 (0.42) MAPTKMT2ARAB9ANPC1ALDH1A1
SCHEMBL1630519 0.80 HSP90AA1 (0.60) MAPTKMT2AGAAHPGDRAB9A
SCHEMBL1627411 0.80 NPC1 (0.44) MAPTKMT2AGAARAB9ANPC1
SCHEMBL1629073 0.80 HSP90AA1 (0.51) MAPTKMT2AGAANPC1POLB
SCHEMBL6448483 0.80 ALDH1A1 (0.50) MAPTKMT2ARAB9ANPC1ALDH1A1
SCHEMBL1629198 0.80 MAPT (0.47) MAPTKMT2ARAB9ANPC1ALDH1A1
SCHEMBL1629144 0.79 PIK3CD (0.49) MAPTKMT2AGAAHPGDGFER

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 2299/4885KMT2A 4362/4885GAA 1133/4885

“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.