SCHEMBL2201816

SCHEMBL2201816

CCOC(=O)C1CCN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(OC(F)(F)F)cc4Cl)cn(CC(F)(F)F)c3c2OC)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.44
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE10A Q9Y233 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12427313 0.96 TOP1 (0.45) TOP1POLBKCNH2TP53MAPT
SCHEMBL2201486 0.94 TOP1 (0.42) TOP1POLBKCNH2PDE10ATP53
SCHEMBL2204011 0.92 TOP1 (0.47) TOP1POLBKCNH2
SCHEMBL2207572 0.92 TOP1 (0.46) TOP1KCNH2SMN1; SMN2
SCHEMBL1972887 0.92 TOP1 (0.43) TOP1KCNH2PDE10A
SCHEMBL12427315 0.91 TOP1 (0.46) TOP1POLBTP53SMN1; SMN2
SCHEMBL2204187 0.89 POLB (0.38) TOP1POLBTP53MAPTSMN1; SMN2
SCHEMBL1976421 0.89 TOP1 (0.46) TOP1POLBKCNH2
SCHEMBL12427310 0.89 TOP1 (0.44) TOP1KCNH2SMN1; SMN2
SCHEMBL12427387 0.88 TOP1 (0.48) TOP1POLBKCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A TOP1 4/4885POLB 77/4885KCNH2 3792/4885

“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.