SCHEMBL3582015

SCHEMBL3582015

CN(C)c1cccc2c(O)cccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.73
KAT2B Q92831 2/20 0.73
KAT8 Q9H7Z6 2/20 0.73
CA2 P00918 1/20 0.53
CHEK1 O14757 1/20 0.52
NEK2 P51955 1/20 0.52
LIMK1 P53667 1/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MCL1 Q07820 1/20 0.50
IDO1 P14902 2/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
CYP1A2 P05177 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
APP P05067 1/20 0.44

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
SCHEMBL10414646 0.86 EP300 (0.96) EP300KAT2BKAT8CA2CHEK1
SCHEMBL8720110 0.85 CHEK1 (0.65) EP300KAT2BKAT8CA2CHEK1
SCHEMBL25971461 0.79 EP300 (0.48) EP300KAT2BKAT8CA2MCL1
SCHEMBL8026157 0.78 GAA (0.55) EP300KAT2BKAT8CA2MCL1
SCHEMBL4869305 0.77 IDO1 (0.73) EP300KAT2BKAT8CA2IDO1
SCHEMBL28327 0.77 IDO1 (0.73) EP300KAT2BKAT8CA2IDO1
SCHEMBL29351230 0.77 IDO1 (0.73) EP300KAT2BKAT8CA2IDO1
SCHEMBL30022761 0.76 ALDH1A1 (0.52) EP300KAT2BKAT8CA2MCL1
SCHEMBL5494774 0.76 ALDH1A1 (0.52) EP300KAT2BKAT8CA2MCL1
SCHEMBL134637 0.75 EP300 (0.52) EP300KAT2BKAT8CA2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2495245-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2012-09-05 EP disclosed
EP-2495245-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2012-09-05 EP disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
EP-1765821-A4 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-20 EP disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. 2006-04-06 US disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed
US-6558956-B1 Method and apparatus for detection of a controlled substance THE UNIVERSITY OF WYOMING 2003-05-06 US disclosed
WO-1998059234-A9 METHOD AND APPARATUS FOR DETECTION OF A CONTROLLED SUBSTANCE UNIV WYOMING (US) 1999-04-15 WO disclosed
WO-1998059234-A1 METHOD AND APPARATUS FOR DETECTION OF A CONTROLLED SUBSTANCE THE UNIVERSITY OF WYOMING (US) 1998-12-30 WO disclosed
US-3983048-A Composition for accelerating oxygen removal comprised of a mixture of aqueous hydrazine and an aryl amine compound OLIN CORPORATION (US) 1976-09-28 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 (2 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-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation MGAM, GSK3B, GSK3A EP300 1791/4885KAT2B 2845/4885KAT8 2533/4885
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A EP300 1791/4885KAT2B 2845/4885KAT8 2533/4885

“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.