SCHEMBL5327871

SCHEMBL5327871

FC(F)(F)c1ccc(-c2cc[c]o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.43
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP2F1 P24903 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4F8 P98187 1/20 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
SCHEMBL5459322 0.82 RXRA (0.37) NOTUMCES2
SCHEMBL512276 0.78 NOTUM (0.44) CYP1A1CYP1A2CYP2C19CYP1B1MAOB
SCHEMBL5542643 0.76 NOTUM (0.40) KIF11NOTUMNISCH
SCHEMBL3386023 0.73 FTO (0.37) ALDH1A1TSHR
SCHEMBL511496 0.72 LMNA (0.41) CYP1A2CYP2C19MAOBNOTUMALDH1A1
SCHEMBL5324357 0.72 ESR1 (0.43) CYP3A4MAOBALDH1A1CA1CA2
SCHEMBL21295791 0.72 MAPT (0.43) KIF11CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3608419 0.72 GAA (0.41) CYP2A6MAOBALDH1A1TSHR
SCHEMBL197238 0.69 KIF11 (0.78) KIF11MAOBALDH1A1TSHRCES2
SCHEMBL13410633 0.69 KIF11 (0.78) KIF11MAOBALDH1A1TSHRCES2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 US claimed
JP-2006505526-A 2006-02-16 JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP claimed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US claimed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP claimed
US-20020165222-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-07 US claimed
EP-1153022-A4 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1153022-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-14 EP claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
WO-2000049011-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-24 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
EP-1153022-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-14 EP disclosed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO disclosed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO disclosed
WO-2000049011-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-24 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 KIF11 4835/4885CYP1A1 134/4885CYP1A2 91/4885
US-20020165222-A1 Protease inhibitors CTSK, CTSZ, CTSE KIF11 3046/4885CYP1A1 1663/4885CYP1A2 2516/4885
US-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 KIF11 4541/4885CYP1A1 355/4885CYP1A2 690/4885

“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.