SCHEMBL2283160

SCHEMBL2283160

CCOc1cc(Br)cc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
SOD1 P00441 1/20 0.42
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
LTA4H P09960 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL28106724 0.86 ESR1 (0.50) NQO1KMT2AMAPTALDH1A1MAOB
SCHEMBL13144454 0.86 NQO1 (0.42) NQO1SOD1TSHRTDP1TP53
SCHEMBL6251418 0.84 TP53 (0.52) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL13429868 0.84 NQO1 (0.41) NQO1SOD1TSHRTDP1TP53
SCHEMBL200566 0.84 CHRNB4 (0.49) NQO1SOD1LTA4HKDM4EMEN1
SCHEMBL30345364 0.84 TP53 (0.52) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL13960581 0.84 NQO1 (0.41) NQO1SOD1TSHRTDP1TP53
SCHEMBL16184443 0.84 FGFR1 (0.41) NQO1SOD1TSHRTDP1TP53
SCHEMBL16957524 0.84 NQO1 (0.41) NQO1SOD1TSHRTDP1TP53
SCHEMBL16687407 0.84 NQO1 (0.37) NQO1SOD1TSHRTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350338-A Amide macrocycle for fluoride ion identification and preparation method and application thereof 山东省科学院新材料研究所 2025-01-24 CN disclosed
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP 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
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 NQO1 1050/4885SOD1 3165/4885TSHR 4566/4885

“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.