SCHEMBL2200898

SCHEMBL2200898

COc1c(N2CCC3(CC2)CNC(=O)C3)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.37
PDE10A Q9Y233 4/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33

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
SCHEMBL12427373 0.93 TOP1 (0.39) TOP1PDE10APOLBKDM4EALDH1A1
SCHEMBL1973336 0.92 TOP1 (0.32) TOP1POLBKDM4EALDH1A1LMNA
SCHEMBL2198753 0.90 KDM4E (0.44) POLBKDM4EALDH1A1LMNANPSR1
SCHEMBL12427378 0.89 TOP1 (0.37) TOP1PDE10APOLBKDM4EALDH1A1
SCHEMBL1974904 0.85 TOP1 (0.45) TOP1POLBKDM4EALDH1A1LMNA
SCHEMBL2203724 0.84 TOP1 (0.44) TOP1PDE10APOLBKDM4EALDH1A1
SCHEMBL12917371 0.84 TOP1 (0.41) TOP1PDE10APOLBKDM4EALDH1A1
SCHEMBL964549 0.84 TOP1 (0.41) TOP1PDE10APOLBKDM4EALDH1A1
SCHEMBL2201399 0.84 TOP1 (0.47) TOP1POLBKDM4EALDH1A1LMNA
SCHEMBL1972467 0.84 TOP1 (0.44) TOP1POLBKDM4EALDH1A1LMNA

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 4/4885PDE10A 2941/4885POLB 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.