SCHEMBL1629050

SCHEMBL1629050

N#Cc1cccc(-n2nccc2-c2ccc(F)cc2O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.41
FADS1 O60427 3/20 0.41
NT5E P21589 1/20 0.41
P4HB P07237 1/20 0.40
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ELANE P08246 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
NR3C1 P04150 1/20 0.37

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
SCHEMBL1630165 0.88 NT5E (0.42) NT5EKDM4EALDH1A1MAPTTSHR
SCHEMBL1631607 0.86 POLB (0.44) NR3C2P4HBMAPK14KDM4EELANE
SCHEMBL1629012 0.86 NR3C2 (0.49) NR3C2NT5EMAPK14KDM4EALDH1A1
SCHEMBL1628683 0.82 NPBWR1 (0.50) NR3C2NT5EKDM4EALDH1A1MAPT
SCHEMBL1628566 0.82 HSP90AA1 (0.49) NR3C2MAPTKDM4AKDM5AKDM4C
SCHEMBL1630307 0.81 NR3C2 (0.46) NR3C2FADS1MAPK14KDM4EALDH1A1
SCHEMBL1630316 0.79 MEN1 (0.45) NR3C2NT5EMAPTELANE
SCHEMBL1630146 0.79 ALDH1A1 (0.53) NR3C2FADS1NT5EKDM4EALDH1A1
SCHEMBL1629817 0.78 ESR1 (0.56) NR3C2NT5EMAPK14KDM4AKDM5A
SCHEMBL1630239 0.75 HSP90AA1 (0.48) NR3C2MAPK14KDM4EKDM4AKDM5A

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
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 CN 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
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 CN 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 NR3C2 558/4885FADS1 4329/4885NT5E 4734/4885

“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.