SCHEMBL141817

SCHEMBL141817

CCc1c(C(=O)O)c(=O)c2ccc(F)c(O)c2n1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.33
TOP2B Q02880 5/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIM1 P11309 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PIM3 Q86V86 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4466379 0.87 P2RX7 (0.34) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL140764 0.85 KCNH2 (0.37) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL143726 0.85 TOP2A (0.39) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL141441 0.80 KCNH2 (0.31) KCNH2
SCHEMBL3134076 0.78 KCNH2 (0.38) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL143606 0.78 KCNH2 (0.40) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL6218399 0.77 KCNH2 (0.38) ALDH1A1KDM4EMAPTHPGDKCNH2
SCHEMBL29023850 0.77 KDM4E (0.41) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL7576971 0.76 KCNH2 (0.37) MAPTKCNH2GSK3BMEN1KMT2A
SCHEMBL142409 0.76 GSK3B (0.37) TOP2ATOP2BALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 TOP2A 125/4885TOP2B 31/4885ALDH1A1 1678/4885

“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.