SCHEMBL1024171

SCHEMBL1024171

COC(=O)C(=CNc1cccc(F)c1)C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
DHODH Q02127 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37

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
SCHEMBL1024170 1.00 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1022675 0.87 MAPT (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1022079 0.87 MAPT (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1022147 0.87 CES2 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1023788 0.87 CES2 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1024165 0.81 MAPK1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1024164 0.81 MAPK1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13762878 0.80 CES2 (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1020228 0.79 NPSR1 (0.56) NPC1RAB9ADHODHCES2CES1
SCHEMBL1020227 0.79 NPSR1 (0.56) NPC1RAB9ADHODHCES2CES1

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 3753/4885MEN1 1755/4885KMT2A 1633/4885

“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.