SCHEMBL4599223

SCHEMBL4599223

O=[N+]([O-])c1ccc(O)c(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
PAX8 Q06710 1/20 0.53
TDP1 Q9NUW8 4/20 0.51
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
METAP1 P53582 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
TP53 P04637 2/20 0.50
GPR35 Q9HC97 2/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ADAM17 P78536 1/20 0.50
ALOX12 P18054 1/20 0.49

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
SCHEMBL6453492 0.86 MAPT (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12825223 0.83 MEN1 (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27631827 0.83 TDP1 (0.63) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6451114 0.82 NPC1 (0.66) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30503070 0.82 MAPT (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2646693 0.82 MAPT (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30739547 0.82 PDE7A (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1013918 0.82 PDE7A (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6452828 0.81 NPC1 (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11046684 0.80 MEN1 (0.56) MAPTMEN1KMT2ANPC1RAB9A

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-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
EP-1910277-A1 QUADRATIC ACID DERIVATIVES IN THE FORM OF A PROTEIN KINASE INHIBITORS Merck Patent GmbH (DE) 2008-04-16 EP disclosed
WO-2007014607-A1 QUADRATIC ACID DERIVATIVES IN THE FORM OF A PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2007-02-08 WO disclosed
WO-2007014607-A1 QUADRATIC ACID DERIVATIVES IN THE FORM OF A PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2007-02-08 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-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors CHEK1, CHEK2, SIK1 MAPT 3173/4885MEN1 3067/4885KMT2A 2053/4885

“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.