SCHEMBL2277211

SCHEMBL2277211

C=C(c1cccc(Br)c1)c1ccc(CC)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
C1S P09871 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GLA P06280 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PLAU P00749 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
GRM5 P41594 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
SCHEMBL8865210 0.79 C1S (0.56) PARP1L3MBTL1MEN1KMT2ATSHR
SCHEMBL2284508 0.78 PDE4A (0.49) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL2279741 0.77 ALOX15 (0.47) RXFP1MEN1KMT2AC1SALDH1A1
SCHEMBL2281223 0.76 ALDH1A1 (0.59) PARP1L3MBTL1TSHRNPSR1SMN1; SMN2
SCHEMBL19291095 0.74 HSD17B1 (0.40) KMT2ASMN1; SMN2ALDH1A1MAOBMAPT
SCHEMBL1744811 0.74 C1S (0.50) PARP1MEN1KMT2ASMN1; SMN2C1S
SCHEMBL2276527 0.74 SMN1; SMN2 (0.37) PARP1L3MBTL1RXFP1MEN1KMT2A
SCHEMBL12164465 0.73 PYCR1 (0.49) L3MBTL1RXFP1MEN1KMT2ATSHR
SCHEMBL30169578 0.73 PYCR1 (0.49) L3MBTL1RXFP1MEN1KMT2ATSHR
SCHEMBL19409861 0.73 HSD17B1 (0.35) SMN1; SMN2ALDH1A1MAOBMAPK1

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 PARP1 1017/4885L3MBTL1 3590/4885RXFP1 490/4885

“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.