SCHEMBL2276642

SCHEMBL2276642

Cc1cccc(C(C)(O)c2cccc(Br)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 1/20 0.40
ACHE P22303 2/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
KIF11 P52732 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 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
SCHEMBL7605328 0.90 ALDH1A1 (0.44) ALDH1A1MAPK1LMNACA1CA2
SCHEMBL18552918 0.88 ACHE (0.50) ALDH1A1MAPK1LMNAACHECNR1
SCHEMBL27821003 0.87 ALDH1A1 (0.45) ALDH1A1MAPK1MAOBCA1CA2
SCHEMBL19124753 0.85 KIF11 (0.44) ALDH1A1MAPK1LMNACA1CA2
SCHEMBL19130469 0.85 KIF11 (0.44) ALDH1A1MAPK1LMNACA1CA2
SCHEMBL18634238 0.82 CNR1 (0.47) ALDH1A1LMNAACHECNR1CNR2
SCHEMBL7626334 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1LMNAACHECNR1
SCHEMBL2383037 0.79 ACHE (0.59) ALDH1A1LMNAACHECA2CA5A
SCHEMBL1738773 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1LMNAACHECA1
SCHEMBL29699821 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1LMNAACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952260-B 4, 5-dihydro-oxazol-2-yl amine derivatives HOFFMANN LA ROCHE 2013-02-13 CN disclosed
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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 (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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 ALDH1A1 1601/4885MAPK1 2330/4885LMNA 1572/4885

“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.