SCHEMBL2766871

SCHEMBL2766871

O=C(NC[C@@H]1CCCN(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.50
ALDH1A1 P00352 2/20 0.48
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
DPP4 P27487 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LCK P06239 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL27714000 1.00 PREP (0.50) PREPALDH1A1F13A1TGM2TGM1
SCHEMBL13740320 0.93 TPSAB1 (0.53) ALDH1A1F13A1TGM2TGM1MEN1
SCHEMBL13741073 0.93 TPSAB1 (0.53) ALDH1A1F13A1TGM2TGM1MEN1
SCHEMBL13739493 0.93 TPSAB1 (0.53) ALDH1A1F13A1TGM2TGM1MEN1
SCHEMBL16528456 0.88 MEN1 (0.50) PREPALDH1A1DPP4DPP7KCNH2
SCHEMBL1840977 0.87 LMNA (0.51) ALDH1A1F13A1TGM2TGM1DPP7
SCHEMBL12722612 0.86 ACKR3 (0.61) KDM4E
SCHEMBL1622524 0.86 ACKR3 (0.61) KDM4E
SCHEMBL12722658 0.86 ACKR3 (0.61) KDM4E
SCHEMBL24693043 0.85 MEN1 (0.47) PREPALDH1A1F13A1TGM2TGM1

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
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-1963324-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 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-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 PREP 1043/4885ALDH1A1 4225/4885F13A1 4850/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ PREP 1369/4885ALDH1A1 3885/4885F13A1 4867/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT PREP 2368/4885ALDH1A1 1245/4885F13A1 4554/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH PREP 1286/4885ALDH1A1 2482/4885F13A1 4383/4885

“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.