SCHEMBL2279022

SCHEMBL2279022

C=C(c1ccc(OC(C)C)cc1)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
PARP10 Q53GL7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
C1S P09871 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 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
SCHEMBL2278865 0.85 ALOX15 (0.44) KMT2ANPC1RAB9ALMNASENP8
SCHEMBL2282008 0.83 MAPT (0.46) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL19220208 0.82 KMT2A (0.58) KMT2APARP10NPC1RAB9ALMNA
SCHEMBL13760871 0.82 KMT2A (0.44) KMT2APARP10SMN1; SMN2NPC1RAB9A
SCHEMBL10685915 0.82 KMT2A (0.61) KMT2APARP10SMN1; SMN2NPC1RAB9A
SCHEMBL2276527 0.81 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2284121 0.80 MAOB (0.47) PARP10SMN1; SMN2NPC1LMNANFKB1
SCHEMBL8865210 0.78 C1S (0.56) KMT2ASMN1; SMN2NPC1LMNANFKB1
SCHEMBL2287063 0.77 PARP1 (0.39) KMT2APARP10SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1744811 0.76 C1S (0.50) KMT2ASMN1; SMN2NPC1RAB9ALMNA

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 11 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
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
CN-101952260-A 4, 5-dihydro-oxazol-2-ylamine derivs HOFFMANN LA ROCHE 2011-01-19 CN 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
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US 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 KMT2A 1424/4885PARP10 1153/4885SMN1; SMN2 222/4885

“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.