SCHEMBL12427334

SCHEMBL12427334

CCOC(=O)C1CCN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(OC(F)(F)F)cc4C)cn([C@H](C)C(F)(F)F)c3c2OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
TOP1 P11387 5/20 0.37
POLB P06746 3/20 0.37
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL12427336 0.93 KCNH2 (0.37) KCNH2TOP1POLBTP53MAPT
SCHEMBL12427404 0.93 TOP1 (0.40) KCNH2TOP1POLBKDM4EL3MBTL1
SCHEMBL12427335 0.89 TOP1 (0.41) KCNH2TOP1POLBTP53MAPT
SCHEMBL2202810 0.89 TOP1 (0.43) KCNH2TOP1POLBTP53MAPT
SCHEMBL2201486 0.89 TOP1 (0.42) KCNH2TOP1POLBTP53MAPT
SCHEMBL12427329 0.88 KCNH2 (0.44) KCNH2POLBKDM4EL3MBTL1HPGD
SCHEMBL12427330 0.88 KCNH2 (0.39) KCNH2TOP1POLBKDM4EL3MBTL1
SCHEMBL12427406 0.86 TOP1 (0.39) KCNH2TOP1POLBKDM4EL3MBTL1
SCHEMBL2204187 0.84 POLB (0.38) TOP1POLBTP53MAPTKDM4E
SCHEMBL2201816 0.83 TOP1 (0.44) KCNH2TOP1POLBTP53MAPT

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 4 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-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

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 KCNH2 3792/4885TOP1 4/4885POLB 77/4885

“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.