SCHEMBL13581390

SCHEMBL13581390

Cc1c(F)c(C(C)(C)C)nc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.51
▸ TOP2B Q02880 8/20 0.51
▸ KCNH2 Q12809 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GSK3B P49841 7/20 0.44
▸ CACNA1F O60840 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ DPP4 P27487 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
SCHEMBL5874340 0.85 TOP2A (0.53) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL14143512 0.82 TOP2A (0.51) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL13014061 0.79 DPP4 (0.54) TOP2ATOP2BKCNH2DPP4
SCHEMBL9090016 0.78 KCNH2 (0.54) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL13581388 0.77 GSK3B (0.55) TOP2ATOP2BKCNH2HRH3MEN1
Hydrochloric Acid SCHEMBL10440761 0.77 KCNH2 (0.53) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL10440717 0.77 PIM3 (0.51) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL9088107 0.77 PIM3 (0.65) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL27335103 0.77 TOP2A (0.48) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL27335100 0.77 PIM3 (0.65) TOP2ATOP2BKCNH2HRH3MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626032-B2 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED (IN) 2009-12-01 — — US disclosed
US-20080214608-A1 New generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2008-09-04 — — US disclosed
US-7393957-B2 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED (IN) 2008-07-01 — — 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-20080214608-A1 New generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 TOP2A 292/4885TOP2B 815/4885KCNH2 4327/4885

“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.

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