SCHEMBL1021964

SCHEMBL1021964

COc1ccc(C(=O)c2cn(CC(=O)Nc3cc(OC)cc(OC)c3)c3cc4c(cc3c2=O)OCO4)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.81
RXFP1 Q9HBX9 9/20 0.81
POLB P06746 7/20 0.81
TP53 P04637 8/20 0.78
TDP1 Q9NUW8 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
BLM P54132 3/20 0.73

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
SCHEMBL1072449 0.95 MAPT (0.79) MAPTRXFP1POLBTP53TDP1
SCHEMBL1549555 0.95 TP53 (0.76) MAPTRXFP1POLBTP53TDP1
SCHEMBL1072635 0.94 RXFP1 (0.89) MAPTRXFP1POLBTP53SMN1; SMN2
SCHEMBL1549632 0.94 MAPT (0.78) MAPTRXFP1POLBTP53TDP1
SCHEMBL1071687 0.94 MAPT (0.74) MAPTRXFP1POLBTP53TDP1
SCHEMBL1549766 0.93 RXFP1 (0.88) MAPTRXFP1POLBTP53TDP1
SCHEMBL1075669 0.92 MAPT (0.88) MAPTRXFP1POLBTP53TDP1
SCHEMBL1073899 0.92 RXFP1 (0.85) MAPTRXFP1POLBTP53BLM
SCHEMBL1075237 0.92 RXFP1 (0.85) MAPTRXFP1POLBTP53BLM
SCHEMBL1549537 0.92 MAPT (0.92) MAPTRXFP1POLBTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 US disclosed
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 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 (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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B MAPT 3753/4885RXFP1 4610/4885POLB 108/4885
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE NOX4, NOX1, CYBB MAPT 2698/4885RXFP1 364/4885POLB 1667/4885

“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.