SCHEMBL5142579

SCHEMBL5142579

F[B]F.O=C(O)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.55
TOP2B Q02880 6/20 0.55
KCNH2 Q12809 5/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GSK3B P49841 2/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRD1 P41143 1/20 0.48
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
SCHEMBL3720416 0.97 TOP2A (0.58) TOP2ATOP2BKCNH2ALDH1A1POLB
Fluoride SCHEMBL5142576 0.95 TOP2A (0.56) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL3558935 0.87 KDM4E (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10330779 0.86 TOP2A (0.56) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7804258 0.85 TOP2A (0.55) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8131531 0.84 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8131420 0.84 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7502599 0.84 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9094282 0.84 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL4387133 0.84 ADRB2 (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304050-B2 Antibacterial agents PFIZER INC. (US) 2007-12-04 US disclosed
EP-1670793-A1 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
US-20050070523-A1 Antibacterial agents HAGEN SUSAN (US) 2005-03-31 US disclosed
WO-2005026161-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 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-20050070523-A1 Antibacterial agents MRPL21, ABCB11, NQO1 TOP2A 28/4885TOP2B 54/4885KCNH2 2204/4885

“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.