SCHEMBL680074

SCHEMBL680074

Nc1c(F)c(N2CC3CCCNC3C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.69
CACNA1F O60840 1/20 0.69
POLB P06746 1/20 0.69
MAPK1 P28482 1/20 0.69
CACNA1D Q01668 1/20 0.69
CACNA1S Q13698 1/20 0.69
CACNA1C Q13936 1/20 0.69
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
GSK3B P49841 13/20 0.56
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
HRH3 Q9Y5N1 1/20 0.43

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 SCHEMBL8982774 0.99 KCNH2 (0.68) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL8982761 0.99 KCNH2 (0.68) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8982735 0.92 MEN1 (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6212047 0.92 MEN1 (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL13762345 0.92 KDM4E (0.71) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL8982756 0.91 MEN1 (0.68) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL8982748 0.91 MEN1 (0.68) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6973421 0.91 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6973407 0.91 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6973414 0.91 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D

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-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US claimed
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2012-05-03 US disclosed
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2012-05-03 US disclosed
US-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2011-06-30 US disclosed
US-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2011-06-30 US disclosed
US-20090209574-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2009-08-20 US disclosed
US-20090209574-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2009-08-20 US disclosed
WO-2009103053-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2009-08-20 WO disclosed
EP-0757990-B1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER HEALTHCARE AG (DE) 2005-03-30 EP disclosed
EP-0350733-B1 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-08-20 EP disclosed
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0757990-A1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-02-12 EP disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 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-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KCNH2 1953/4885CACNA1F 3937/4885POLB 276/4885
US-20090209574-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KCNH2 1953/4885CACNA1F 3937/4885POLB 276/4885
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KCNH2 1953/4885CACNA1F 3937/4885POLB 276/4885

“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.