SCHEMBL1630221

SCHEMBL1630221

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
NPSR1 Q6W5P4 5/20 0.46
ALOX12 P18054 2/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2D6 P10635 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
NPBWR1 P48145 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL1630194 0.90 MAPT (0.52) MAPTMEN1KMT2ANPSR1ALOX12
SCHEMBL1629194 0.88 MAPT (0.53) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL1629558 0.87 MAPT (0.52) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL1628844 0.87 MAPT (0.52) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL1630238 0.86 MAPT (0.51) MAPTMEN1KMT2ANPSR1ALOX15
SCHEMBL1631568 0.86 KDM4E (0.57) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL1630345 0.85 MAPT (0.51) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL1631555 0.85 MEN1 (0.57) MAPTMEN1KMT2ANPSR1ALOX12
SCHEMBL1630086 0.84 NPSR1 (0.52) MAPTMEN1KMT2ANPSR1ALOX12

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 2299/4885MEN1 4538/4885KMT2A 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.