SCHEMBL4914935

SCHEMBL4914935

O=c1c(NCc2cccc(O)c2)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
CXCR2 P25025 5/20 0.46
CXCR1 P25024 1/20 0.42
HIF1A Q16665 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.42
CHEK1 O14757 2/20 0.42
DAPK3 O43293 2/20 0.42
ROCK2 O75116 2/20 0.42
CHEK2 O96017 2/20 0.42
PRKACA P17612 2/20 0.42
RPS6KB1 P23443 2/20 0.42
AKT1 P31749 2/20 0.42
AKT2 P31751 2/20 0.42
CLK2 P49760 2/20 0.42
GSK3B P49841 2/20 0.42
RPS6KA3 P51812 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKG2 Q13237 2/20 0.42
ROCK1 Q13464 2/20 0.42
PRKG1 Q13976 2/20 0.42

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
SCHEMBL4919796 0.81 GSK3B (0.48) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4917069 0.81 EGFR (0.50) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4906887 0.80 MAPKAPK2 (0.54) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4916629 0.80 EGFR (0.49) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4907070 0.80 MAPT (0.53) CXCR2CXCR1CHEK1DAPK3ROCK2
SCHEMBL4916045 0.79 EGFR (0.57) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4917914 0.79 EGFR (0.46) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4599292 0.78 HIF1A (0.48) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4914009 0.78 EGFR (0.45) EGFRCXCR2HIF1ACHEK1DAPK3
SCHEMBL4909304 0.78 EGFR (0.47) EGFRCXCR2HIF1ACHEK1DAPK3

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 EGFR 2751/4885CXCR2 1337/4885CXCR1 1074/4885

“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.