SCHEMBL5525463

SCHEMBL5525463

O=C(O)c1cn(-c2ccc(CN3CCCC3)cc2)c2c(OC(F)(F)F)c(N3CCN(c4ccccn4)CC3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TOP1 P11387 6/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HTR7 P34969 1/20 0.37
TOP2A P11388 3/20 0.37
TOP2B Q02880 3/20 0.37
DRD4 P21917 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 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
SCHEMBL5523363 0.95 HPGD (0.41) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5531019 0.93 KDM4E (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5531404 0.92 HPGD (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5529655 0.91 TOP1 (0.49) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5522742 0.91 TOP1 (0.49) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5526834 0.89 HPGD (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5531381 0.89 HPGD (0.40) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5526755 0.88 HPGD (0.45) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL5528922 0.88 HPGD (0.42) HPGDHSD17B10TOP1KDM4EALDH1A1
SCHEMBL14417363 0.88 KDM4E (0.42) 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 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 HPGD 150/4885HSD17B10 663/4885TOP1 39/4885

“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.