SCHEMBL8922019

SCHEMBL8922019

Nc1c(F)c(N2CCC(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
KCNH2 Q12809 2/20 0.72
CACNA1F O60840 1/20 0.72
MAPK1 P28482 1/20 0.72
CACNA1D Q01668 1/20 0.72
CACNA1S Q13698 1/20 0.72
CACNA1C Q13936 1/20 0.72
ALDH1A1 P00352 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
GSK3B P49841 13/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TOP2A P11388 2/20 0.57
TOP2B Q02880 2/20 0.57

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
Hydrochloric Acid SCHEMBL9368352 0.98 POLB (0.69) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9790134 0.94 POLB (0.69) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9022992 0.94 KCNH2 (0.64) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9022766 0.94 KCNH2 (0.64) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL5868656 0.94 POLB (0.71) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9157848 0.93 POLB (0.68) POLBKCNH2CACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9023576 0.93 KCNH2 (0.63) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9160633 0.93 POLB (0.68) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9158072 0.93 POLB (0.68) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9687720 0.92 POLB (0.61) POLBKCNH2CACNA1FMAPK1CACNA1D

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342649-B1 Improved process for the preparation of 5-amino-7-(substituted amino)-quinoline-3-carboxylic acids WARNER LAMBERT CO (US) 1994-11-30 EP claimed
EP-0342649-A2 Improved process for the preparation of 5-amino-7-(substituted amino)-quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1989-11-23 EP claimed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US claimed
EP-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 EP claimed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP claimed
EP-2293778-B1 COMPOSITION COMPRISING AN ANTIBIOTIC AND MOMETASONE INTERVET INT BV (NL) 2013-09-18 EP disclosed
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INC. 2012-02-23 US disclosed
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INC. 2012-02-23 US disclosed
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL BV 2010-04-08 US disclosed
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL BV 2010-04-08 US disclosed
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest EMORY UNIVERSITY (US) 2009-12-10 US disclosed
WO-2009147144-A2 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL B.V. (NL) 2009-12-10 WO disclosed
US-5057520-A Water solubility ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
WO-1990004591-A1 NOVEL ANTIMICROBIAL DITHIOCARBAMOYL QUINOLONES NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-05-03 WO disclosed
EP-0366643-A2 Novel antimicrobial dithiocarbamoyl quinolones Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP disclosed
EP-0360258-A2 Amino acid quinoline and naphthyridine derivatives ABBOTT LABORATORIES (US) 1990-03-28 EP disclosed
EP-0342649-A2 Improved process for the preparation of 5-amino-7-(substituted amino)-quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1989-11-23 EP disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 EP disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP 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 (3 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-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID CYP21A2, CYP27A1, NR3C2 POLB 196/4885KCNH2 2951/4885CACNA1F 4820/4885
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID CYP21A2, CYP27A1, NR3C2 POLB 196/4885KCNH2 2951/4885CACNA1F 4820/4885
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest SNRPE, NSUN2, SNRPA POLB 114/4885KCNH2 4758/4885CACNA1F 4166/4885

“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.