SCHEMBL5526324

SCHEMBL5526324

CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(OC(F)(F)Cl)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.36
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TOP2A P11388 4/20 0.36
TOP2B Q02880 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIK3CG P48736 1/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL5531381 0.94 HPGD (0.40) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5522861 0.93 TOP1 (0.39) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5523954 0.93 TOP1 (0.40) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5526248 0.91 TOP1 (0.47) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5523363 0.90 HPGD (0.41) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5919414 0.88 CYP3A4 (0.42) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5524273 0.88 TOP1 (0.44) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5531276 0.88 HPGD (0.39) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5522821 0.88 TOP1 (0.41) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5525506 0.87 PIM1 (0.43) TOP1HPGDHSD17B10KDM4EALDH1A1

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 TOP1 39/4885HPGD 150/4885HSD17B10 663/4885

“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.