Sugi Predict

Sugi Predict / Compounds / SCHEMBL5528829

SCHEMBL5528829

SCHEMBL5528829

O=C(O)c1cn(-c2cccc(CN3CCCCC3)c2)c2c(OC(F)(F)F)c(N3CCN(c4ccc(F)cc4F)CC3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TOP1 P11387 5/20 0.39
▸ TOP2A P11388 4/20 0.38
▸ EPHA2 P29317 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TOP2B Q02880 2/20 0.37

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
SCHEMBL5530539 0.93 KDM4E (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5530825 0.92 KDM4E (0.43) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5535058 0.89 HSD17B10 (0.42) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5525100 0.89 HPGD (0.42) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5528964 0.88 ALDH1A1 (0.52) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5531404 0.86 HPGD (0.42) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5528911 0.84 TOP1 (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5531448 0.83 HPGD (0.43) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5527407 0.83 KDM4E (0.53) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5531019 0.81 KDM4E (0.42) 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.