Sugi Predict

Sugi Predict / Compounds / SCHEMBL5528677

SCHEMBL5528677

SCHEMBL5528677

O=C(O)c1cn(-c2ccc(CN3CCCC3)cc2)c2c(Cl)c(N3CCN(c4ncccn4)CC3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TOP2A P11388 3/20 0.39
▸ TOP2B Q02880 2/20 0.39

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
SCHEMBL5528041 0.92 HSD17B10 (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5526755 0.92 HPGD (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5525392 0.91 KDM4E (0.44) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5530913 0.91 KDM4E (0.44) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5530189 0.90 CYP3A4 (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5525475 0.89 CYP3A4 (0.44) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5528923 0.89 ALDH1A1 (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5533196 0.89 PIM1 (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5529091 0.89 TOP1 (0.50) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL5535047 0.89 HSD11B1 (0.47) 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 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 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.