SCHEMBL4445375

SCHEMBL4445375

O=C1C=Cc2ccc3ccc([N+](=O)[O-])cc3c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.55
PTPRC P08575 3/20 0.41
S100A4 P26447 2/20 0.41
HIF1A Q16665 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
STAT3 P40763 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 3/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DAO P14920 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5886292 0.76 PTPRC (0.56) CES1PTPRCS100A4HIF1AMEN1
SCHEMBL8598895 0.72 PTPRC (0.56) CES1PTPRCS100A4HIF1AMEN1
SCHEMBL15442560 0.72 PTPRC (0.55) CES1PTPRCS100A4HIF1AMEN1
SCHEMBL380656 0.72 CES1 (1.00) CES1PTPRCHIF1AMEN1KMT2A
SCHEMBL29370560 0.72 PTPRC (0.55) CES1PTPRCS100A4HIF1AMEN1
SCHEMBL7213583 0.71 CES1 (0.72) CES1PTPRCHIF1AMEN1KMT2A
SCHEMBL87570 0.70 CES1 (0.70) CES1PTPRCHIF1AMEN1KMT2A
SCHEMBL9122070 0.68 HIF1A (0.53) PTPRCS100A4HIF1AMEN1KMT2A
SCHEMBL7106993 0.68 PTPRC (0.55) CES1PTPRCS100A4HIF1AMEN1
SCHEMBL31268201 0.68 ALDH1A1 (0.63) CES1PTPRCS100A4HIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755574-A4 PTEN INHIBITORS SEMAFORE PHARMACEUTICALS INC (US) 2009-05-13 EP disclosed
US-20070203098-A1 Pten Inhibitors SEMAFORE PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
EP-1755574-A2 PTEN INHIBITORS Semafore Pharmaceuticals, Inc. (US) 2007-02-28 EP disclosed
WO-2005097119-A2 PTEN INHIBITORS SEMAFORE PHARMACEUTICALS, INC. (US) 2005-10-20 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-20070203098-A1 Pten Inhibitors PTEN, MTMR1, PTPRJ CES1 1635/4885PTPRC 12/4885S100A4 4203/4885

“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.