SCHEMBL1022079

SCHEMBL1022079

COC(=O)C(=CNc1ccc(F)cc1)C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.41
DHODH Q02127 1/20 0.40
ADCY1 Q08828 1/20 0.40
KMT2A Q03164 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1022675 1.00 MAPT (0.42) MAPTALDH1A1HPGDDHODHADCY1
SCHEMBL1022147 0.87 CES2 (0.51) MAPTALDH1A1HPGDDHODHKMT2A
SCHEMBL1023788 0.87 CES2 (0.51) MAPTALDH1A1HPGDDHODHKMT2A
SCHEMBL1024171 0.87 MAPT (0.43) MAPTALDH1A1HPGDDHODHKMT2A
SCHEMBL1024170 0.87 MAPT (0.43) MAPTALDH1A1HPGDDHODHKMT2A
SCHEMBL1020228 0.87 NPSR1 (0.56) DHODHCES2CES1NPSR1NPC1
SCHEMBL1020227 0.87 NPSR1 (0.56) DHODHCES2CES1NPSR1NPC1
SCHEMBL13762878 0.85 CES2 (0.39) MAPTALDH1A1DHODHKMT2ACES2
SCHEMBL13762900 0.79 NPC1 (0.49) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL1073956 0.79 NPC1 (0.49) MAPTALDH1A1KMT2ANPC1RAB9A

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 MAPT 3753/4885ALDH1A1 1763/4885HPGD 250/4885

“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.