SCHEMBL5528922

SCHEMBL5528922

Cc1cccnc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(CN5CCCC5)cc4)c3c2OC(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 1/20 0.41
TOP1 P11387 7/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PARP1 P09874 2/20 0.37
TNK2 Q07912 1/20 0.37
TNK1 Q13470 1/20 0.37
PIK3CG P48736 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TOP2A P11388 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL5531019 0.91 KDM4E (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5525447 0.90 PARP1 (0.39) HPGDHSD17B10PPARGTOP1KDM4E
SCHEMBL5525084 0.90 HPGD (0.39) HPGDHSD17B10PPARGTOP1KDM4E
SCHEMBL5525463 0.88 HPGD (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL14417363 0.86 KDM4E (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5528911 0.86 TOP1 (0.46) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5526834 0.86 HPGD (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5519912 0.86 PARP1 (0.38) HPGDHSD17B10PPARGTOP1KDM4E
SCHEMBL5531448 0.85 HPGD (0.43) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5529091 0.84 TOP1 (0.50) HPGDHSD17B10TOP1KDM4EALDH1A1

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 6 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 claimed
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 HPGD 150/4885HSD17B10 663/4885PPARG 62/4885

“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.