SCHEMBL4364227

SCHEMBL4364227

CCC1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CCC1NC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.64
KDM4E B2RXH2 9/20 0.61
HPGD P15428 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 2/20 0.61
POLB P06746 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
PRKD3 O94806 1/20 0.61
ALOX15 P16050 1/20 0.61
OPRM1 P35372 1/20 0.61
CLK2 P49760 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.53
TOP1 P11387 1/20 0.52

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
SCHEMBL4370258 0.92 KCNH2 (0.63) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4372407 0.91 KCNH2 (0.65) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4368284 0.89 KCNH2 (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6593878 0.89 KCNH2 (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4368294 0.89 KCNH2 (0.69) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4373743 0.87 KCNH2 (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4366399 0.85 KCNH2 (0.62) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4379729 0.85 KCNH2 (0.63) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4365458 0.85 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4372470 0.84 GSK3B (0.52) KCNH2POLBGSK3B

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 18 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
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 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
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 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 (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 KCNH2 4170/4885KDM4E 2603/4885HPGD 1105/4885
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 KCNH2 4170/4885KDM4E 2603/4885HPGD 1105/4885
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 KCNH2 4327/4885KDM4E 2420/4885HPGD 1398/4885
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 KCNH2 4170/4885KDM4E 2603/4885HPGD 1105/4885

“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.