Sugi Predict

Sugi Predict / Compounds / SCHEMBL5531404

SCHEMBL5531404

SCHEMBL5531404

O=C(O)c1cn(-c2cccc(CN3CCCCC3)c2)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 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ POLB P06746 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TOP1 P11387 5/20 0.38
▸ AOC3 Q16853 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TOP2A P11388 2/20 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
SCHEMBL5535058 0.93 HSD17B10 (0.42) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5525463 0.92 HPGD (0.42) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5526737 0.92 HTT (0.40) HPGDHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL5530539 0.89 KDM4E (0.46) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5530825 0.88 KDM4E (0.43) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5525036 0.88 HPGD (0.44) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5523363 0.88 HPGD (0.41) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5525100 0.88 HPGD (0.42) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5528829 0.86 KDM4E (0.49) HPGDHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5531019 0.85 KDM4E (0.42) HPGDHSD17B10ALDH1A1KDM4EPOLB

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 663/4885ALDH1A1 272/4885

“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.