SCHEMBL4906875

SCHEMBL4906875

COc1cccc(CNc2c(Nc3ccc(O)c(C)c3)c(=O)c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 4/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
HIF1A Q16665 1/20 0.48
GSK3B P49841 4/20 0.46
ROCK1 Q13464 4/20 0.46
GSK3A P49840 3/20 0.46
ROCK2 O75116 3/20 0.46
PRKG1 Q13976 3/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PRKACA P17612 3/20 0.45
RPS6KB1 P23443 3/20 0.45
RPS6KA3 P51812 3/20 0.45
CDC42BPA Q5VT25 3/20 0.45

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
SCHEMBL4917466 0.89 MEN1 (0.52) KMT2AMEN1POLBMAPTHIF1A
SCHEMBL4917020 0.88 MAPT (0.55) KMT2AMEN1POLBMAPTHSP90AA1
SCHEMBL4917000 0.88 MEN1 (0.52) KMT2AMEN1POLBMAPTHIF1A
SCHEMBL4914399 0.87 ROCK2 (0.45) KMT2AMEN1POLBGSK3BROCK1
SCHEMBL4917069 0.87 EGFR (0.50) KMT2AMAPTHIF1AGSK3BROCK1
SCHEMBL4911196 0.86 MEN1 (0.55) KMT2AMEN1POLBMAPTHIF1A
SCHEMBL4917115 0.86 MEN1 (0.50) KMT2AMEN1POLBMAPTHIF1A
SCHEMBL4920663 0.84 EGFR (0.49) KMT2AMEN1POLBMAPTHIF1A
SCHEMBL4914062 0.84 CHEK2 (0.46) GSK3BROCK1GSK3AROCK2PRKG1
SCHEMBL4907070 0.83 MAPT (0.53) KMT2AMEN1POLBMAPTGSK3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262096-A1 Squaric Acid Derivatives MERCK PATENT GMBH (DE) 2008-10-23 US claimed
EP-1838662-A1 SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2007-10-03 EP claimed
WO-2006072354-A1 SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2006-07-13 WO claimed
US-20080262096-A1 Squaric Acid Derivatives MERCK PATENT GMBH (DE) 2008-10-23 US disclosed
EP-1838662-A1 SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2007-10-03 EP disclosed
WO-2006072354-A1 SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2006-07-13 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-20080262096-A1 Squaric Acid Derivatives GLS, SGK1, PFKL KMT2A 2815/4885MEN1 4395/4885POLB 3143/4885

“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.