SCHEMBL1020568

SCHEMBL1020568

CCC(C)OC(=O)C(=CNc1ccc(C)c(C)n1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
SORT1 Q99523 4/20 0.34
DHODH Q02127 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
STAT1 P42224 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL1023543 0.84 KMT2A (0.62) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2023579 0.81 MEN1 (0.46) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL3419583 0.79 MEN1 (0.39) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL2971654 0.79 MEN1 (0.45) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL2650764 0.78 MEN1 (0.44) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL11764046 0.78 ALDH1A1 (0.44) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL1020567 0.77 MEN1 (0.67) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL5046716 0.77 DHODH (0.58) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL395325 0.76 DHODH (0.46) MAPTKDM4ENPSR1DHODHGAA
SCHEMBL10782206 0.76 MAPT (0.63) KMT2AMAPTKDM4ENPSR1DHODH

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 8 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
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 (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.