SCHEMBL1630485

SCHEMBL1630485

COc1ccc(-c2ccnn2-c2ccc(NC(C)=O)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR3C2 P08235 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
LMNA P02545 2/20 0.47
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
PKM P14618 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1628989 0.88 ADORA3 (0.50) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL1629506 0.87 RAB9A (0.54) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL1628993 0.87 LMNA (0.50) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL1628783 0.86 ADORA3 (0.53) HTTKMT2ANR3C2ADORA3LMNA
SCHEMBL1628998 0.85 ALDH1A1 (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1629692 0.80 MAPT (0.52) MAPTALDH1A1KDM4EHTTNR3C2
SCHEMBL12722760 0.80 MAPT (0.51) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL15049875 0.79 KMT2A (0.43) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL1629168 0.78 MAPT (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1628982 0.77 MAPT (0.47) MAPTALDH1A1KDM4EHTTMEN1

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 5 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

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 2299/4885ALDH1A1 777/4885KDM4E 3577/4885

“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.