SCHEMBL5528205

SCHEMBL5528205

COc1c(N2CCN(c3ccc(F)cc3F)CC2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(CN(C)C)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 3/20 0.49
HSP90AA1 P07900 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TOP1 P11387 7/20 0.48
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
KCNH2 Q12809 3/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TOP2A P11388 1/20 0.42

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
SCHEMBL5530563 0.92 LMNA (0.49) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5527559 0.92 TOP1 (0.52) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5525453 0.92 TOP1 (0.49) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5526188 0.90 TOP1 (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5527538 0.89 TOP1 (0.51) KDM4EALDH1A1POLBLMNATOP1
SCHEMBL5527407 0.89 KDM4E (0.53) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5529488 0.87 TOP1 (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5520614 0.87 TOP1 (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5524163 0.87 TOP1 (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5520041 0.87 TOP1 (0.47) KDM4EALDH1A1POLBHSP90AA1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS KDM4E 2571/4885ALDH1A1 272/4885POLB 301/4885

“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.