SCHEMBL140764

SCHEMBL140764

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.37
GSK3B P49841 4/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
PRKD3 O94806 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.34
CLK2 P49760 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6218399 0.88 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7576971 0.87 KCNH2 (0.37) KCNH2GSK3BALOX15MEN1KMT2A
SCHEMBL3337171 0.86 KCNH2 (0.41) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL141441 0.86 KCNH2 (0.31) KCNH2
SCHEMBL141817 0.85 TOP2A (0.33) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL4466379 0.84 P2RX7 (0.34) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL6220871 0.83 MAPT (0.35) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL6215704 0.80 CA12 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7100426 0.78 KCNH2 (0.54) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL537046 0.78 GRK6 (0.37) KDM4EALDH1A1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 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 (2 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 KCNH2 1112/4885GSK3B 3108/4885KDM4E 2599/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 KCNH2 1477/4885GSK3B 3846/4885KDM4E 2563/4885

“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.