SCHEMBL3720416

SCHEMBL3720416

O=C(O)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.58
▸ TOP2B Q02880 6/20 0.58
▸ KCNH2 Q12809 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ GSK3B P49841 2/20 0.52
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 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
Fluoride SCHEMBL5142576 0.98 TOP2A (0.56) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL5142579 0.97 TOP2A (0.55) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10330779 0.89 TOP2A (0.56) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9094282 0.87 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8131531 0.87 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8131420 0.87 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7502599 0.87 TOP2A (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL4387133 0.86 ADRB2 (0.44) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL483223 0.86 KDM4E (0.65) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL29393776 0.86 KDM4E (0.65) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861401-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2015-11-18 — — EP disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 — — US disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 — — US disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 — — US disclosed
WO-2010093341-A1 C-7 ISOXAZOLINYL QUINOLONE/NAPHTHYRIDINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — WO disclosed
WO-2010093341-A1 C-7 ISOXAZOLINYL QUINOLONE/NAPHTHYRIDINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — WO disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 — — US disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 — — US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 — — WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 — — US disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 — — 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
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 — — EP disclosed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 — — 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 TOP2A 389/4885TOP2B 359/4885KCNH2 519/4885

“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.

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