SCHEMBL1007177

SCHEMBL1007177

COc1c(N2CCCC(N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.73
CYP3A4 P08684 1/20 0.57
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
POLB P06746 3/20 0.49
OPRM1 P35372 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3B P49841 1/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL4470979 1.00 KCNH2 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL13963489 1.00 KCNH2 (0.73) KCNH2CYP3A4KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4027326 0.99 KCNH2 (0.71) KCNH2CYP3A4KDM4EALDH1A1HPGD
Fluoride SCHEMBL4026808 0.98 KCNH2 (0.70) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL4026818 0.96 KCNH2 (0.68) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL13973963 0.90 KCNH2 (0.71) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL13520154 0.90 KCNH2 (0.71) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL13263358 0.90 KCNH2 (0.71) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL23298397 0.89 CYP3A4 (0.72) KCNH2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL13270264 0.88 KCNH2 (0.90) KCNH2CYP3A4KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868021-B2 Antimicrobial quinolones, their compositions and uses WARNER CHILCOTT COMPANY, LLC (US) 2011-01-11 US claimed
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses WARNER CHILCOTT COMPANY, LLC 2009-04-30 US claimed
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP claimed
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
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO 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 1112/4885CYP3A4 185/4885KDM4E 2599/4885
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses QARS1, NQO2, TOP2A KCNH2 1402/4885CYP3A4 280/4885KDM4E 4074/4885

“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.