Sugi Predict

Sugi Predict / Compounds / SCHEMBL5530504

SCHEMBL5530504

SCHEMBL5530504

CCOC(=O)c1cn(-c2ccc(CN3CCCC3)cc2)c2c(OC(F)(F)F)c(N3CCN(c4cccc(Cl)c4)CC3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ THRB P10828 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ BRCA1 P38398 1/20 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
SCHEMBL5531448 0.91 HPGD (0.43) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL5521912 0.85 STAT3 (0.45) KMT2AALDH1A1HTTHPGDKDM4E
SCHEMBL5525100 0.85 HPGD (0.42) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5526737 0.83 HTT (0.40) MAPTKMT2AALDH1A1HTTHPGD
SCHEMBL5529474 0.83 HTT (0.40) MAPTKMT2AALDH1A1HTTHPGD
SCHEMBL5525662 0.82 USP2 (0.40) MAPTALDH1A1KDM4ECHRM4LMNA
SCHEMBL5525931 0.82 HPGD (0.40) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL5528911 0.82 TOP1 (0.46) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5523036 0.82 HPGD (0.41) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5521887 0.81 STAT3 (0.43) KMT2AALDH1A1HTTHPGDKDM4E

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 MAPT 4397/4885KMT2A 2389/4885ALDH1A1 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.