SCHEMBL4366166

SCHEMBL4366166

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(C)C(NC)C(C)C3)c(OC)c21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.56
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 4/20 0.55
PMP22 Q01453 1/20 0.54
KCNH2 Q12809 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4366020 0.86 KDM4E (0.70) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2199878 0.84 TOP1 (0.52) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12427302 0.84 TOP1 (0.52) TOP1KDM4EALDH1A1HPGDHSD17B10
Fluoride Ion SCHEMBL9773943 0.83 TOP1 (0.74) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9773961 0.83 TOP1 (0.73) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30626273 0.83 TOP1 (0.62) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29080628 0.83 TOP1 (0.62) TOP1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9773797 0.82 KDM4E (0.59) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8504208 0.82 KDM4E (0.56) TOP1KDM4EALDH1A1HPGDHSD17B10
Water SCHEMBL9773665 0.81 KDM4E (0.80) TOP1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964966-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) 2005-11-15 US claimed
US-6878713-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) 2005-04-12 US claimed
EP-1453824-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 (IN) 2004-09-08 EP claimed
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments WOCKHARDT LIMITED 2003-11-20 US claimed
WO-2003050107-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 (IN) 2003-06-19 WO claimed
US-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2003-05-22 US claimed
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
US-6964966-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) 2005-11-15 US disclosed
US-6878713-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) 2005-04-12 US disclosed
US-20050065164-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2005-03-24 US disclosed
EP-1453824-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 (IN) 2004-09-08 EP disclosed
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments WOCKHARDT LIMITED 2003-11-20 US disclosed
WO-2003050107-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 (IN) 2003-06-19 WO disclosed
US-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2003-05-22 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 (4 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-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 TOP1 102/4885KDM4E 2603/4885ALDH1A1 1962/4885
US-20050065164-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 TOP1 102/4885KDM4E 2603/4885ALDH1A1 1962/4885
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 TOP1 132/4885KDM4E 2420/4885ALDH1A1 1926/4885
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 TOP1 102/4885KDM4E 2603/4885ALDH1A1 1962/4885

“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.