SCHEMBL2201436

SCHEMBL2201436

COc1c(N2CCC(C(=O)OCC[N+](C)(C)C)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.40
KCNH2 Q12809 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RIPK1 Q13546 2/20 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
SCHEMBL2201486 0.93 TOP1 (0.42) TOP1KCNH2POLB
Choline SCHEMBL2201428 0.91 TOP1 (0.41) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL1974904 0.90 TOP1 (0.45) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL2203724 0.89 TOP1 (0.44) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL2204187 0.88 POLB (0.38) TOP1KDM4EALDH1A1POLB
SCHEMBL2202028 0.88 TOP1 (0.40) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL2201816 0.87 TOP1 (0.44) TOP1KCNH2POLB
SCHEMBL2202810 0.87 TOP1 (0.43) TOP1KCNH2KDM4EPOLB
SCHEMBL12427335 0.86 TOP1 (0.41) TOP1KCNH2POLB
SCHEMBL2201399 0.86 TOP1 (0.47) TOP1KCNH2KDM4EALDH1A1LMNA

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 2 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-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 4/4885KCNH2 3792/4885KDM4E 1743/4885

“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.