SCHEMBL1020567

SCHEMBL1020567

CCOC(=O)C(=CNc1ccc(C)c(C)n1)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 5/20 0.64
KDM4E B2RXH2 3/20 0.64
NPSR1 Q6W5P4 4/20 0.60
DHODH Q02127 5/20 0.56
GAA P10253 3/20 0.56
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
STAT1 P42224 1/20 0.45

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
SCHEMBL7603202 0.86 MEN1 (0.64) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL8561111 0.85 MEN1 (0.62) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL8328902 0.85 MEN1 (0.62) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL10862774 0.84 MEN1 (0.86) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL8628278 0.82 MEN1 (0.58) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL1023541 0.80 MEN1 (1.00) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL10863245 0.80 MEN1 (0.66) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL2023577 0.78 MEN1 (0.76) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL1020568 0.77 MEN1 (0.42) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL23145074 0.77 MEN1 (0.74) MEN1KMT2AMAPTKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B MEN1 1755/4885KMT2A 1633/4885MAPT 3753/4885

“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.