SCHEMBL3924246

SCHEMBL3924246

O=c1oc(=O)n(CCC2CC2)c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
CYP2C9 P11712 1/20 0.43
PLK1 P53350 2/20 0.42
PER2 O15055 15/20 0.40
CNR2 P34972 2/20 0.39
CRY2 Q49AN0 3/20 0.38

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
SCHEMBL5309142 0.81 HPGD (0.44) CNR2
SCHEMBL3923355 0.81 MAPK9 (0.44) PLK1PER2CRY2
SCHEMBL6742444 0.80 ACHE (0.43)
SCHEMBL6687244 0.80 PARK7 (0.42) PLK1PER2CRY2
SCHEMBL3923954 0.77 PER2 (0.40) PER2CRY2
SCHEMBL19086567 0.76 SIGMAR1 (0.36) CNR2
SCHEMBL3932904 0.75 IDO1 (0.57)
SCHEMBL5123471 0.73 MIF (0.67) PLK1
SCHEMBL29811388 0.72 ATM (0.45)
SCHEMBL4822294 0.72 ATM (0.45)

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-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO disclosed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 US disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
WO-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 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 (3 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 NR1I2 1798/4885CYP2C9 1218/4885PLK1 3279/4885
US-20060040927-A1 Heterocyclic antiviral compounds HAVCR2, POLR1A, HCCS NR1I2 239/4885CYP2C9 366/4885PLK1 2129/4885
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A NR1I2 546/4885CYP2C9 2562/4885PLK1 379/4885

“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.