SCHEMBL5523980

SCHEMBL5523980

CCOC(=O)/C(=C\Nc1ccc(CO)cc1)C(=O)c1cc(F)c(F)c(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.50
DHODH Q02127 5/20 0.49
MAPT P10636 5/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 4/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL5523983 1.00 NPSR1 (0.50) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL9055795 0.89 NPSR1 (0.47) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL8802032 0.84 NPSR1 (0.42) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL19728766 0.81 MEN1 (0.41) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL20912617 0.81 MEN1 (0.41) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL10374437 0.81 DHODH (0.55) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL9870075 0.81 DHODH (0.55) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL9870077 0.81 DHODH (0.55) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL10769552 0.80 MEN1 (0.44) NPSR1DHODHMAPTALDH1A1KDM4E
SCHEMBL10769548 0.80 MEN1 (0.44) NPSR1DHODHMAPTALDH1A1KDM4E

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 NPSR1 4427/4885DHODH 608/4885MAPT 4397/4885

“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.