SCHEMBL1621903

SCHEMBL1621903

CC1(C)COC(c2cccc(B(O)O)c2)=N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HRH3 Q9Y5N1 2/20 0.48
MGLL Q99685 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
IL2 P60568 1/20 0.42
ROCK1 Q13464 1/20 0.38
CYP2D6 P10635 1/20 0.38
PLG P00747 1/20 0.36
F12 P00748 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HPGD P15428 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL5180886 0.91 KDM4E (0.50) KDM4EHRH3MGLLLMNAMAPT
SCHEMBL5929328 0.85 KDM4E (0.44) KDM4EHRH3LMNAMAPTHTT
SCHEMBL471881 0.84 KDM4E (0.62) KDM4EHRH3LMNAMAPTHTT
SCHEMBL5165520 0.84 HPGD (0.45) KDM4EHRH3LMNAMAPTHTT
SCHEMBL5583063 0.81 KDM4E (0.47) KDM4EHRH3MGLLLMNAMAPT
SCHEMBL20410843 0.81 KDM4E (0.59) KDM4EHRH3LMNAMAPTHTT
SCHEMBL3750225 0.80 KDM4E (0.54) KDM4EHRH3LMNAMAPTHTT
SCHEMBL4748328 0.80 KDM4E (0.54) KDM4EHRH3LMNAMAPTHTT
SCHEMBL2557980 0.79 HRH3 (0.40) KDM4EHRH3LMNAMAPTHTT
SCHEMBL30863841 0.78 KDM4E (0.56) KDM4EHRH3LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928129-B1 Nanomolar β-lactamase inhibitors NORTHWESTERN UNIVERSITY (US) 2011-04-19 US disclosed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
US-7271186-B1 Nanomolar β-lactamase inhibitors NORTHWESTERN UNIVERSITY (US) 2007-09-18 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
CN-1070173-C Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-29 CN disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 CN disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A KDM4E 2328/4885HRH3 4562/4885MGLL 736/4885

“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.