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SCHEMBL762152

SCHEMBL762152

COc1c(F)c(F)cc2c(=O)c(C(=O)OB(F)F)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ KCNH2 Q12809 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ STAT3 P40763 1/20 0.34
▸ TOP2A P11388 1/20 0.34

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
SCHEMBL3815792 1.00 CYP3A4 (0.41) CYP3A4KCNH2KDM4EALDH1A1HPGD
SCHEMBL6953927 1.00 CYP3A4 (0.41) CYP3A4KCNH2KDM4EALDH1A1HPGD
SCHEMBL12427281 1.00 CYP3A4 (0.41) CYP3A4KCNH2KDM4EALDH1A1HPGD
SCHEMBL10306128 1.00 CYP3A4 (0.41) CYP3A4KCNH2KDM4EALDH1A1HPGD
SCHEMBL3129389 0.88 KDM4E (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13945282 0.88 ADRB2 (0.40) CYP3A4KCNH2KDM4EALDH1A1POLB
SCHEMBL2182116 0.88 ADRB2 (0.40) CYP3A4KCNH2KDM4EALDH1A1POLB
SCHEMBL14671507 0.88 KDM4E (0.42) CYP3A4KCNH2KDM4EALDH1A1HPGD
SCHEMBL12427275 0.86 CYP3A4 (0.52) CYP3A4KCNH2KDM4EALDH1A1HPGD
SCHEMBL6957083 0.86 CYP3A4 (0.52) CYP3A4KCNH2KDM4EALDH1A1HPGD

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 56 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
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 — — EP disclosed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 — — EP disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 — — US disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 — — US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 — — US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 — — US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 — — US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 — — US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 — — US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 — — US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 — — EP disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 — — EP disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 — — US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 — — US disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 — — WO disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 — — EP disclosed
US-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-09 — — US 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 (4 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-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN CYP3A4 120/4885KCNH2 471/4885KDM4E 1971/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KCNH2 193/4885KDM4E 1244/4885
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents CASP7, CYP3A7, NQO2 CYP3A4 212/4885KCNH2 1777/4885KDM4E 3311/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL CYP3A4 548/4885KCNH2 324/4885KDM4E 1998/4885

“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.