SCHEMBL2202260

SCHEMBL2202260

CCOc1c(N2CCC(C(=O)O)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
FFAR4 Q5NUL3 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2204187 0.94 POLB (0.38) TOP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL1974904 0.94 TOP1 (0.45) TOP1KDM4EALDH1A1FFAR4HPGD
SCHEMBL1973181 0.92 TOP1 (0.38) TOP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL2203832 0.91 FFAR4 (0.38) TOP1KDM4EALDH1A1FFAR4HPGD
SCHEMBL1972468 0.91 TOP1 (0.36) TOP1KDM4EALDH1A1HPGDKMT2A
Diethanolamine SCHEMBL2202026 0.90 TOP1 (0.42) TOP1KDM4EALDH1A1FFAR4LMNA
SCHEMBL2201486 0.89 TOP1 (0.42) TOP1
Choline SCHEMBL2201428 0.88 TOP1 (0.41) TOP1KDM4EALDH1A1FFAR4LMNA
SCHEMBL2203724 0.88 TOP1 (0.44) TOP1KDM4EALDH1A1LMNA
SCHEMBL2204916 0.87 TOP1 (0.46) TOP1KDM4EALDH1A1FFAR4LMNA

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 6 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

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 4/4885KDM4E 1743/4885ALDH1A1 3228/4885

“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.