SCHEMBL13744769

SCHEMBL13744769

COc1c(N2C[C@@H](C)N(CC(=O)O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(CCF)c12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.47
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 1/20 0.40
KCNH2 Q12809 1/20 0.39
HPGD P15428 2/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL12917450 0.95 TOP1 (0.46) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL13744408 0.92 TOP1 (0.44) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL4251735 0.92 TOP1 (0.45) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL13744928 0.92 TOP1 (0.45) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL12917256 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAPOLBNPSR1
SCHEMBL12917322 0.89 TOP1 (0.47) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL964967 0.89 TOP1 (0.47) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL13744547 0.87 TOP1 (0.40) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL12917377 0.87 TOP1 (0.43) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL12917364 0.86 TOP1 (0.44) TOP1KDM4EALDH1A1LMNAPOLB

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-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 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-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B TOP1 4/4885KDM4E 2492/4885ALDH1A1 1587/4885

“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.