SCHEMBL4379656

SCHEMBL4379656

C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2CC[C@@H]4C)CC[C@@H]1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.79
KDM4E B2RXH2 10/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 7/20 0.50
HPGD P15428 7/20 0.50
HSD17B10 Q99714 5/20 0.50
POLB P06746 3/20 0.50
OPRM1 P35372 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRD1 P41143 1/20 0.50
ALB P02768 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KCNH2 Q12809 4/20 0.49
AADAT Q8N5Z0 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49

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
SCHEMBL7762057 1.00 LMNA (0.79) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4369898 1.00 LMNA (0.79) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4369351 1.00 LMNA (0.79) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Water SCHEMBL7764910 0.99 LMNA (0.78) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7225048 0.92 LMNA (0.78) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7227083 0.91 LMNA (0.66) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7227115 0.90 LMNA (0.75) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7236649 0.90 LMNA (0.77) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7225535 0.90 LMNA (0.77) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7226923 0.90 LMNA (0.77) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1

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
EP-1578449-A2 COMPOSITIONS OF BENZOQUINOLIZINE CARBOXYLIC ACID ANTIBIOTIC DRUGS Wockhardt Limited (IN) 2005-09-28 EP claimed
US-20040176337-A1 Benzoquinolizine-2-carboxylic acid-containing compositions WOCKHARDT LIMITED 2004-09-09 US claimed
US-20040176321-A1 Compositions of benzoquinolizine carboxylic acid antibiotic drugs WOCKHARDT LIMITED 2004-09-09 US claimed
WO-2004058303-A2 COMPOSITIONS OF BENZOQUINOLIZINE CARBOXYLIC ACID ANTIBIOTIC DRUGS WOCKHARDT LIMITED (IN) 2004-07-15 WO claimed
US-6608078-B2 Gramnegative bacteria WOCKHARDT LIMITED (IN) 2003-08-19 US claimed
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment WOCKHARDT RESEARCH CENTER 2002-11-07 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
EP-1578449-A2 COMPOSITIONS OF BENZOQUINOLIZINE CARBOXYLIC ACID ANTIBIOTIC DRUGS Wockhardt Limited (IN) 2005-09-28 EP 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-20040176337-A1 Benzoquinolizine-2-carboxylic acid-containing compositions WOCKHARDT LIMITED 2004-09-09 US disclosed
US-20040176321-A1 Compositions of benzoquinolizine carboxylic acid antibiotic drugs WOCKHARDT LIMITED 2004-09-09 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
WO-2004058303-A2 COMPOSITIONS OF BENZOQUINOLIZINE CARBOXYLIC ACID ANTIBIOTIC DRUGS WOCKHARDT LIMITED (IN) 2004-07-15 WO disclosed
US-6608078-B2 Gramnegative bacteria WOCKHARDT LIMITED (IN) 2003-08-19 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-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment WOCKHARDT RESEARCH CENTER 2002-11-07 US disclosed
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 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-20040176321-A1 Compositions of benzoquinolizine carboxylic acid antibiotic drugs H1-5, DDC, HRH1 LMNA 2904/4885KDM4E 386/4885SMN1; SMN2 2149/4885
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 LMNA 3938/4885KDM4E 2420/4885SMN1; SMN2 4727/4885
US-20040176337-A1 Benzoquinolizine-2-carboxylic acid-containing compositions IL17A, RORC, RARA LMNA 1395/4885KDM4E 2919/4885SMN1; SMN2 4593/4885
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment ALPI, POLR1C, POLI LMNA 1788/4885KDM4E 2308/4885SMN1; SMN2 3986/4885

“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.