SCHEMBL5525549

SCHEMBL5525549

CCOC(=O)C(=CNc1cccc(CN2CCCCC2)c1)C(=O)c1cc(F)c(F)c(OC(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
ACKR3 P25106 11/20 0.39
NPSR1 Q6W5P4 3/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
ABL1 P00519 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL14417315 0.90 NPSR1 (0.44) DHODHNPSR1KDM4EPOLBMAPT
SCHEMBL5519865 0.90 NPSR1 (0.44) DHODHNPSR1KDM4EPOLBMAPT
SCHEMBL5525096 0.90 ACKR3 (0.40) ACKR3KDM4EABL1KCNH2
SCHEMBL5521899 0.87 DHODH (0.43) DHODHACKR3NPSR1KDM4EMAPT
SCHEMBL14417360 0.87 ACKR3 (0.44) DHODHACKR3NPSR1
SCHEMBL14417314 0.85 NPSR1 (0.43) DHODHNPSR1KDM4EPOLBMAPT
SCHEMBL5525093 0.81 ACKR3 (0.41) ACKR3KDM4EABL1KCNH2
SCHEMBL5525554 0.79 ACKR3 (0.42) ACKR3ABL1KCNH2
SCHEMBL6709569 0.75 LMNA (0.42) DHODHACKR3NPSR1KDM4EPOLB
SCHEMBL5533725 0.74 HRH3 (0.37) KDM4EPOLBMAPT

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 3 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
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 DHODH 608/4885ACKR3 2961/4885NPSR1 4427/4885

“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.