SCHEMBL1986275

SCHEMBL1986275

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.60
CACNA1F O60840 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
CACNA1D Q01668 1/20 0.56
KCNH2 Q12809 1/20 0.56
CACNA1S Q13698 1/20 0.56
CACNA1C Q13936 1/20 0.56
TOP2A P11388 1/20 0.55
TOP2B Q02880 1/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
Fluoride SCHEMBL7804066 0.98 GSK3B (0.58) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL7804069 0.97 GSK3B (0.57) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1343006 0.90 GSK3B (0.65) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL500863 0.87 GSK3B (0.64) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL7810902 0.86 GSK3B (0.48) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689537 0.85 GSK3B (0.68) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL7812725 0.85 CACNA1F (0.57) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL7816829 0.85 KCNH2 (0.57) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL7813328 0.84 KCNH2 (0.56) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1345769 0.84 GSK3B (0.70) GSK3BCACNA1FPOLBMAPK1CACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767536-B1 QUINOLONECARBOXYLIC ACID COMPOUNDS, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST MED BIOTECHNOLOGY CAMS (CN) 2011-06-29 EP disclosed
US-7759362-B2 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof INSTITUT OF MEDICINAL BIOTECHNOLOGY CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-07-20 US disclosed
US-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof XINCHANG PHARMACEUTICAL FACTORY, ZHEJIANG MEDICINE CO. LTD. (CN) 2007-09-20 US disclosed
EP-1767536-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEREOF PREPARATION AND USAGE Institute of Medicinal Biotechnology, Chinese Acadamy of Medical Sciences (CN) 2007-03-28 EP disclosed
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed
US-5496951-A 1-CYCLOPROPYL-6-FLUORO-8-FLUORINATED METHOXY COMPOUNDS INCLUDING BORON DIFLUORIDE CHELATE; CHEMICAL INTERMEDIATES AND ANTIBACTERIAL AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-05 US disclosed
US-5436367-A 3, 4-difluorobenzoic acid derivatives SANKO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0352123-B1 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-01-18 EP disclosed
US-5348961-A Antibacterial agents SANKYO COMPANY LIMITED (JP) 1994-09-20 US disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
US-5073556-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-12-17 US disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 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 (1 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-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof NQO2, ABCG2, DHX15 GSK3B 2902/4885CACNA1F 2664/4885POLB 2049/4885

“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.