SCHEMBL5525554

SCHEMBL5525554

CCC(Nc1cccc(CN2CCCCC2)c1)=C(C(=O)O)C(=O)c1cc(F)c(F)c(OC(F)(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 13/20 0.42
ABL1 P00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
MET P08581 1/20 0.38
NTRK1 P04629 1/20 0.38
RHOA P61586 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
SCHEMBL5519869 0.91 KDM4E (0.41) ABL1KCNH2
SCHEMBL5521905 0.86 NTRK1 (0.45) ACKR3METNTRK1
SCHEMBL5525096 0.82 ACKR3 (0.40) ACKR3ABL1KCNH2
SCHEMBL5525549 0.79 DHODH (0.40) ACKR3ABL1KCNH2
SCHEMBL5525093 0.79 ACKR3 (0.41) ACKR3ABL1KCNH2
SCHEMBL6709571 0.73 SMN1; SMN2 (0.46) ACKR3ABL1KCNH2RHOA
SCHEMBL6711076 0.72 SMN1; SMN2 (0.46) KCNH2RHOA
SCHEMBL6711242 0.71 TP53 (0.57) KCNH2
SCHEMBL14417315 0.70 NPSR1 (0.44)
SCHEMBL5519865 0.70 NPSR1 (0.44)

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 ACKR3 2961/4885ABL1 207/4885KCNH2 4752/4885

“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.