SCHEMBL5521887

SCHEMBL5521887

CCOC(=O)c1cn(-c2cccc(CN3CCCCC3)c2)c2c(OC(F)(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CHRM4 P08173 1/20 0.36
KMT2A Q03164 2/20 0.36
CMA1 P23946 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ADRB2 P07550 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
SCHEMBL5521912 0.91 STAT3 (0.45) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL5526292 0.87 STAT3 (0.45) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL5526737 0.85 HTT (0.40) STAT3HTTKDM4EALDH1A1HPGD
SCHEMBL5531738 0.85 STAT3 (0.45) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL5523968 0.82 STAT3 (0.47) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL5523872 0.81 STAT3 (0.47) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL5530504 0.81 MAPT (0.41) STAT3HTTKDM4EALDH1A1HPGD
SCHEMBL5528643 0.80 STAT3 (0.41) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL5525721 0.79 STAT3 (0.49) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL5526211 0.78 STAT3 (0.47) STAT3HTTKDM4EALDH1A1POLB

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 STAT3 642/4885HTT 3021/4885KDM4E 2571/4885

“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.