SCHEMBL2204011

SCHEMBL2204011

COc1c(N2CCC(C(=O)O)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3Cl)cn(CC(F)(F)F)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.47
KCNH2 Q12809 2/20 0.40
FFAR4 Q5NUL3 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL12427387 0.95 TOP1 (0.48) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL1974904 0.93 TOP1 (0.45) TOP1KCNH2FFAR4KDM4EALDH1A1
SCHEMBL2201816 0.92 TOP1 (0.44) TOP1KCNH2POLB
SCHEMBL1976421 0.92 TOP1 (0.46) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL2202775 0.92 TOP1 (0.49) TOP1KCNH2EPHX2
SCHEMBL12427392 0.90 TOP1 (0.49) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL1972887 0.89 TOP1 (0.43) TOP1KCNH2EPHX2
Diethanolamine SCHEMBL2202026 0.89 TOP1 (0.42) TOP1KCNH2FFAR4KDM4EALDH1A1
Choline SCHEMBL2201428 0.88 TOP1 (0.41) TOP1KCNH2FFAR4KDM4EALDH1A1
SCHEMBL12427313 0.88 TOP1 (0.45) TOP1KCNH2ALDH1A1POLBTDP1

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 8 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
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP 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 4/4885KCNH2 3792/4885FFAR4 4618/4885

“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.