SCHEMBL7870125

SCHEMBL7870125

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.43
FBP1 P09467 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HPGD P15428 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CHRNA7 P36544 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL2284121 0.85 MAOB (0.47) LMNAL3MBTL1MAPK1MAOBPARP15
SCHEMBL2277164 0.84 TDP1 (0.45) LMNAL3MBTL1MAPK1MAOBTDP1
SCHEMBL2282008 0.82 MAPT (0.46) LMNAMAPK1HPGDMAPTRAB9A
SCHEMBL2276795 0.78 NPC1 (0.48) LMNAL3MBTL1FBP1KDM4EMAPT
SCHEMBL2281108 0.76 MAOB (0.40) LMNAL3MBTL1MAPK1MAOBTDP1
SCHEMBL2279022 0.75 KMT2A (0.44) LMNAL3MBTL1MAOBPARP10RAB9A
SCHEMBL1820853 0.75 KDM4E (0.57) LMNAL3MBTL1MAOBFBP1KDM4E
SCHEMBL30946572 0.75 KDM4E (0.57) LMNAL3MBTL1MAOBFBP1KDM4E
SCHEMBL2283591 0.75 MEN1 (0.53) L3MBTL1TDP1HPGDPSMB1PSMB5
SCHEMBL8865210 0.74 C1S (0.56) LMNAL3MBTL1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 LMNA 1572/4885L3MBTL1 3590/4885MAPK1 2330/4885

“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.