SCHEMBL6158512

SCHEMBL6158512

Brc1cc(Br)cc(C[CH]c2cc(Br)ccc2Br)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
TLR9 Q9NR96 1/20 0.33
ERN1 O75460 1/20 0.33
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CASP1 P29466 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL5941222 0.72 HSP90AA1 (0.32) HSP90AA1TLR9IDO1
SCHEMBL4946932 0.67 HSD11B1 (0.37) IDO1
SCHEMBL28323722 0.67 IDO1 (0.42) IDO1
SCHEMBL2787330 0.66 HSP90AA1 (0.41) HSP90AA1TLR9ERN1CASP1ALOX15
SCHEMBL16959640 0.66 ERN1 (0.45) HSP90AA1TLR9ERN1KMT2ACASP1
SCHEMBL29661857 0.66 HSP90AA1 (0.41) HSP90AA1TLR9ERN1CASP1ALOX15
SCHEMBL414267 0.66 ERN1 (0.61) HSP90AA1TLR9ERN1MEN1KMT2A
SCHEMBL2336642 0.65 IDO1 (0.41) ERN1IDO1
SCHEMBL23797445 0.64 HSP90AA1 (0.39) HSP90AA1TLR9ERN1MEN1KMT2A
SCHEMBL14488274 0.64 HSP90AA1 (0.39) HSP90AA1TLR9ERN1MAPTKMT2A

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
EP-1341766-B1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
EP-1341766-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO 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-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E HSP90AA1 2743/4885TLR9 4058/4885ERN1 234/4885

“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.