SCHEMBL1022147

SCHEMBL1022147

COC(=O)C(=CNc1ccccc1)C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
DHODH Q02127 3/20 0.44
MAPT P10636 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 3/20 0.38

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
SCHEMBL1023788 1.00 CES2 (0.51) CES2CES1SMN1; SMN2DHODHMAPT
SCHEMBL13762878 0.87 CES2 (0.39) CES2CES1SMN1; SMN2DHODHMAPT
SCHEMBL1022675 0.87 MAPT (0.42) CES2CES1SMN1; SMN2DHODHMAPT
SCHEMBL1022079 0.87 MAPT (0.42) CES2CES1SMN1; SMN2DHODHMAPT
SCHEMBL1024171 0.87 MAPT (0.43) CES2CES1SMN1; SMN2DHODHMAPT
SCHEMBL1024170 0.87 MAPT (0.43) CES2CES1SMN1; SMN2DHODHMAPT
SCHEMBL1024164 0.86 MAPK1 (0.50) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL1024165 0.86 MAPK1 (0.50) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL1020228 0.84 NPSR1 (0.56) CES2CES1SMN1; SMN2DHODHNPC1
SCHEMBL1020227 0.84 NPSR1 (0.56) CES2CES1SMN1; SMN2DHODHNPC1

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 CES2 337/4885CES1 933/4885SMN1; SMN2 2712/4885

“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.